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

Systemtic Name: (2S)-2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide Openeye Name: (2S)-2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-N-(ethylcarbamoyl)propanamide CAS Name: (2S)-2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-N-(ethylcarbamoyl)propanamide IUPAC Name: (2S)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-(ethylcarbamoyl)propanamide Traditional Name: (2S)-2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-N-(ethylcarbamoyl)propionamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)SC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl

InChI

InChI=1S/C20H21ClN4O2S/c1-3-22-19(27)24-18(26)13(2)28-20-23-16-11-15(21)9-10-17(16)25(20)12-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H2,22,24,26,27)/t13-/m0/s1