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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(CCSC)C1=NC2=CC=CC=C2N1)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)N[C@@H](CCSC)C1=NC2=CC=CC=C2N1)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-15(16-8-4-3-5-9-16)14-20(25)22-19(12-13-26-2)21-23-17-10-6-7-11-18(17)24-21/h3-11,15,19H,12-14H2,1-2H3,(H,22,25)(H,23,24)/t15?,19-/m0/s1