SYZ
N-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide
Created: | 2020-12-08 |
Last modified: | 2020-12-23 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 33 |
Chiral Atom Count | 0 |
Bond Count | 34 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | N-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide |
Synonyms | ~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide |
Formula | C13 H14 N2 O3 S |
Molecular Weight | 278.327 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O |
Canonical SMILES | CACTVS | 3.385 | Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O |
InChI | InChI | 1.03 | InChI=1S/C13H14N2O3S/c1-9-3-2-4-10(7-9)12(17)14-5-6-15-11(16)8-19-13(15)18/h2-4,7H,5-6,8H2,1H3,(H,14,17) |
InChIKey | InChI | 1.03 | LNKJOLQQLIVVPE-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 47261574 |