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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-phenyl-butanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-phenyl-butanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-phenylbutanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylbutanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-phenyl-butyramide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-3-16(15-9-5-4-6-10-15)21(25)24-19(13-14-26-2)20-22-17-11-7-8-12-18(17)23-20/h4-12,16,19H,3,13-14H2,1-2H3,(H,22,23)(H,24,25)/t16?,19-/m0/s1