N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-cyclopropylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-cyclopropylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-[cyclopropyl(oxo)methyl]-4-piperidinecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(cyclopropanecarbonyl)isonipecotamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H28N4O2S/c1-28-13-10-18(19-22-16-4-2-3-5-17(16)23-19)24-20(26)14-8-11-25(12-9-14)21(27)15-6-7-15/h2-5,14-15,18H,6-13H2,1H3,(H,22,23)(H,24,26)