2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide

Systemtic Name: 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide Openeye Name: 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-N-[(cyclopropylamino)-oxomethyl]propanamide IUPAC Name: 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-N-(cyclopropylcarbamoyl)propionamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-13(19(27)25-20(28)23-16-8-9-16)29-21-24-17-11-15(22)7-10-18(17)26(21)12-14-5-3-2-4-6-14/h2-7,10-11,13,16H,8-9,12H2,1H3,(H2,23,25,27,28)