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

Systemtic Name: 1-[3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[3-(3,4-dimethylanilino)-1-piperidyl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[3-(3,4-dimethylanilino)-1-piperidinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[3-(3,4-dimethylanilino)piperidino]-2-(4-pyridylthio)ethanone Formula: C20H25N3OS MolecularWeight: 355.497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CSC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CSC3=CC=NC=C3)C

InChI

InChI=1S/C20H25N3OS/c1-15-5-6-17(12-16(15)2)22-18-4-3-11-23(13-18)20(24)14-25-19-7-9-21-10-8-19/h5-10,12,18,22H,3-4,11,13-14H2,1-2H3