(2S)-N-(3-ethanoylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-ethanoylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(3-acetylphenyl)-2-[1-(m-tolyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-(3-acetylphenyl)-2-[[1-(3-methylphenyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: (2S)-N-(3-acetylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(3-acetylphenyl)-2-[[1-(m-tolyl)benzimidazol-2-yl]thio]propionamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=CC(=C4)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2S[C@@H](C)C(=O)NC4=CC=CC(=C4)C(=O)C

InChI

InChI=1S/C25H23N3O2S/c1-16-8-6-11-21(14-16)28-23-13-5-4-12-22(23)27-25(28)31-18(3)24(30)26-20-10-7-9-19(15-20)17(2)29/h4-15,18H,1-3H3,(H,26,30)/t18-/m0/s1