4-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]butanamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]butanamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]butanamide CAS Name: 4-(1H-benzimidazol-2-ylthio)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide Traditional Name: 4-(1H-benzimidazol-2-ylthio)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-butyramide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CCCSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CCCSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H24N4O2S/c1-15-9-11-16(12-10-15)22-19(26)14-25(2)20(27)8-5-13-28-21-23-17-6-3-4-7-18(17)24-21/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3,(H,22,26)(H,23,24)