(3,4-dimethoxyphenyl)-[1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[1-[(3-methylsulfanylphenyl)methyl]-3-piperidyl]methanone CAS Name: (3,4-dimethoxyphenyl)-[1-[[3-(methylthio)phenyl]methyl]-3-piperidinyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[1-[3-(methylthio)benzyl]-3-piperidyl]methanone Formula: C22H27NO3S MolecularWeight: 385.51968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)CC3=CC(=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)CC3=CC(=CC=C3)SC)OC

InChI

InChI=1S/C22H27NO3S/c1-25-20-10-9-17(13-21(20)26-2)22(24)18-7-5-11-23(15-18)14-16-6-4-8-19(12-16)27-3/h4,6,8-10,12-13,18H,5,7,11,14-15H2,1-3H3