IXZ

N-benzyl-2-[(N-benzylglycyl)amino]-4-phenylthiophene-3-carboxamide

Created:	2014-09-25
Last modified:	2015-08-05

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1 entries where IXZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	0
Bond Count	61
Aromatic Bond Count	23

2D diagram of IXZ

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Chemical Component Summary
Name	N-benzyl-2-[(N-benzylglycyl)amino]-4-phenylthiophene-3-carboxamide
Systematic Name (OpenEye OEToolkits)	4-phenyl-N-(phenylmethyl)-2-[2-[(phenylmethyl)amino]ethanoylamino]thiophene-3-carboxamide
Formula	C₂₇ H₂₅ N₃ O₂ S
Molecular Weight	455.571
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc2scc(c1ccccc1)c2C(=O)NCc3ccccc3)CNCc4ccccc4
SMILES	CACTVS	3.385	O=C(CNCc1ccccc1)Nc2scc(c3ccccc3)c2C(=O)NCc4ccccc4
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CNCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4
Canonical SMILES	CACTVS	3.385	O=C(CNCc1ccccc1)Nc2scc(c3ccccc3)c2C(=O)NCc4ccccc4
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CNCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4
InChI	InChI	1.03	InChI=1S/C27H25N3O2S/c31-24(18-28-16-20-10-4-1-5-11-20)30-27-25(23(19-33-27)22-14-8-3-9-15-22)26(32)29-17-21-12-6-2-7-13-21/h1-15,19,28H,16-18H2,(H,29,32)(H,30,31)
InChIKey	InChI	1.03	FATCVHYQVCDDIO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91826013

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