(2S)-N-(4-ethylphenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-(1-isobutylbenzimidazol-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-[(1-isobutylbenzimidazol-2-yl)thio]propionamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3N2CC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3N2CC(C)C

InChI

InChI=1S/C22H27N3OS/c1-5-17-10-12-18(13-11-17)23-21(26)16(4)27-22-24-19-8-6-7-9-20(19)25(22)14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,23,26)/t16-/m0/s1