1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[3-(1H-benzimidazol-2-yl)-1-piperidyl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[3-(1H-benzimidazol-2-yl)piperidino]-2-[(4-nitrophenyl)thio]ethanone Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H20N4O3S/c25-19(13-28-16-9-7-15(8-10-16)24(26)27)23-11-3-4-14(12-23)20-21-17-5-1-2-6-18(17)22-20/h1-2,5-10,14H,3-4,11-13H2,(H,21,22)