N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-ethanoyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-ethanoyl-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1H-pyrrole-2-carboxamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c1-11(23)12-9-16(19-10-12)18(24)22-15(7-8-25-2)17-20-13-5-3-4-6-14(13)21-17/h3-6,9-10,15,19H,7-8H2,1-2H3,(H,20,21)(H,22,24)/t15-/m0/s1