(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3-methylphenoxy)propanamide

Systemtic Name: (2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3-methylphenoxy)propanamide Openeye Name: (2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3-methylphenoxy)propanamide CAS Name: (2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3-methylphenoxy)propanamide IUPAC Name: (2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3-methylphenoxy)propanamide Traditional Name: (2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3-methylphenoxy)propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=CC=C1)O[C@H](C)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H25N3O2S/c1-14-7-6-8-16(13-14)26-15(2)21(25)24-19(11-12-27-3)20-22-17-9-4-5-10-18(17)23-20/h4-10,13,15,19H,11-12H2,1-3H3,(H,22,23)(H,24,25)/t15-,19+/m1/s1