N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O2S/c1-33-18-15-23(25-27-21-9-5-6-10-22(21)28-25)29-26(32)20-13-16-30(17-14-20)24(31)12-11-19-7-3-2-4-8-19/h2-12,20,23H,13-18H2,1H3,(H,27,28)(H,29,32)/b12-11+/t23-/m0/s1