S-[[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate

Systemtic Name: S-[[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate Openeye Name: S-[[4-(2-cyanoethylsulfanylmethyl)thiazol-2-yl]carbamoylamino] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[[[4-[(2-cyanoethylthio)methyl]-2-thiazolyl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[4-[(2-cyanoethylthio)methyl]thiazol-2-yl]carbamoylamino] ester Formula: C15H14N4O2S3 MolecularWeight: 378.49226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SNC(=O)NC2=NC(=CS2)CSCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SNC(=O)NC2=NC(=CS2)CSCCC#N

InChI

InChI=1S/C15H14N4O2S3/c16-7-4-8-22-9-12-10-23-15(17-12)18-14(21)19-24-13(20)11-5-2-1-3-6-11/h1-3,5-6,10H,4,8-9H2,(H2,17,18,19,21)