2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide

Systemtic Name: 2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4OS/c1-2-12-26-19-10-9-16(22)14-18(19)24-21(26)28-15-20(27)25(13-6-11-23)17-7-4-3-5-8-17/h3-5,7-10,14H,2,6,12-13,15H2,1H3