2-[4-cyano-4-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-butan-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-cyano-4-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-butan-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[3-cyano-1-methyl-3-(1-methylbenzimidazol-2-yl)-2-oxo-propyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[4-cyano-4-(1-methyl-2-benzimidazolyl)-3-oxobutan-2-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-cyano-4-(1-methylbenzimidazol-2-yl)-3-oxobutan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[3-cyano-2-keto-1-methyl-3-(1-methylbenzimidazol-2-yl)propyl]thio]-N-(p-tolyl)acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)C(C#N)C2=NC3=CC=CC=C3N2C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)C(C#N)C2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C22H22N4O2S/c1-14-8-10-16(11-9-14)24-20(27)13-29-15(2)21(28)17(12-23)22-25-18-6-4-5-7-19(18)26(22)3/h4-11,15,17H,13H2,1-3H3,(H,24,27)