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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-imidazol-1-yl-propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-imidazol-1-yl-propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(1-imidazolyl)propanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-imidazol-1-ylpropanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-imidazol-1-yl-propionamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C1=NC2=CC=CC=C2N1)N3C=CN=C3

Isomeric SMILES

CC(C(=O)N[C@@H](CCSC)C1=NC2=CC=CC=C2N1)N3C=CN=C3

InChI

InChI=1S/C17H21N5OS/c1-12(22-9-8-18-11-22)17(23)21-15(7-10-24-2)16-19-13-5-3-4-6-14(13)20-16/h3-6,8-9,11-12,15H,7,10H2,1-2H3,(H,19,20)(H,21,23)/t12?,15-/m0/s1