1-[3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[3-(3,4-dimethoxyanilino)-1-piperidyl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[3-(3,4-dimethoxyanilino)-1-piperidinyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[3-(3,4-dimethoxyanilino)piperidino]-2-(2-pyridylthio)ethanone Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CSC3=CC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CSC3=CC=CC=N3)OC

InChI

InChI=1S/C20H25N3O3S/c1-25-17-9-8-15(12-18(17)26-2)22-16-6-5-11-23(13-16)20(24)14-27-19-7-3-4-10-21-19/h3-4,7-10,12,16,22H,5-6,11,13-14H2,1-2H3