2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl)C

InChI

InChI=1S/C20H19ClN4OS/c1-13-8-14(2)10-16(9-13)25(7-3-6-22)19(26)12-27-20-23-17-5-4-15(21)11-18(17)24-20/h4-5,8-11H,3,7,12H2,1-2H3,(H,23,24)