2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

Systemtic Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Openeye Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide CAS Name: 2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]-N-[(2,4-dimethylanilino)-oxomethyl]propanamide IUPAC Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Traditional Name: 2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]-N-[(2,4-dimethylphenyl)carbamoyl]propionamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC3=CC=CC=C3N2CCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC3=CC=CC=C3N2CCC#N)C

InChI

InChI=1S/C22H23N5O2S/c1-14-9-10-17(15(2)13-14)24-21(29)26-20(28)16(3)30-22-25-18-7-4-5-8-19(18)27(22)12-6-11-23/h4-5,7-10,13,16H,6,12H2,1-3H3,(H2,24,26,28,29)