N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-chlorophenyl)-3-methyl-butanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-chlorophenyl)-3-methyl-butanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-chlorophenyl)-3-methyl-butanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-chlorophenyl)-3-methylbutanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(4-chlorophenyl)-3-methylbutanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-chlorophenyl)-3-methyl-butyramide Formula: C22H26ClN3OS MolecularWeight: 415.97934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H26ClN3OS/c1-14(2)20(15-8-10-16(23)11-9-15)22(27)26-19(12-13-28-3)21-24-17-6-4-5-7-18(17)25-21/h4-11,14,19-20H,12-13H2,1-3H3,(H,24,25)(H,26,27)/t19-,20?/m0/s1