1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-2-(2-thienylsulfanyl)ethanone CAS Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-2-(thiophen-2-ylthio)ethanone IUPAC Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylsulfanylethanone Traditional Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)piperidino]-2-(2-thienylthio)ethanone Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=CS2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CSC2=CC=CS2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H19N3OS2/c22-16(12-24-17-8-4-10-23-17)21-9-3-5-13(11-21)18-19-14-6-1-2-7-15(14)20-18/h1-2,4,6-8,10,13H,3,5,9,11-12H2,(H,19,20)/t13-/m0/s1