N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-4-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(4-thiazolylmethylthio)benzamide IUPAC Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-4-(thiazol-4-ylmethylthio)benzamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

InChI=1S/C21H21N3O2S2/c1-15-3-7-17(8-4-15)23-20(25)11-24(2)21(26)16-5-9-19(10-6-16)28-13-18-12-27-14-22-18/h3-10,12,14H,11,13H2,1-2H3,(H,23,25)