(2S)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide

Systemtic Name: (2S)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide Openeye Name: (2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide CAS Name: (2S)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-[(2S)-2-phenylbutyl]propanamide IUPAC Name: (2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide Traditional Name: (2S)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-[(2S)-2-phenylbutyl]propionamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)SC1=NC2=C(N1)C=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)SC1=NC2=C(N1)C=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3OS/c1-3-14(15-7-5-4-6-8-15)12-22-19(25)13(2)26-20-23-17-10-9-16(21)11-18(17)24-20/h4-11,13-14H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,14+/m0/s1