(1S,2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-methyl-cyclopropane-1-carboxamide

Systemtic Name: (1S,2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-methyl-cyclopropane-1-carboxamide Openeye Name: (1S,2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-methyl-cyclopropanecarboxamide CAS Name: (1S,2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-methyl-1-cyclopropanecarboxamide IUPAC Name: (1S,2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-methylcyclopropane-1-carboxamide Traditional Name: (1S,2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-methyl-cyclopropanecarboxamide Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H21N3OS/c1-10-9-11(10)16(20)19-14(7-8-21-2)15-17-12-5-3-4-6-13(12)18-15/h3-6,10-11,14H,7-9H2,1-2H3,(H,17,18)(H,19,20)/t10-,11-,14-/m0/s1