N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-(2-phenylcyclopropyl)carbonylpiperidin-4-yl]piperidine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-(2-phenylcyclopropyl)carbonylpiperidin-4-yl]piperidine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-(2-phenylcyclopropanecarbonyl)-4-piperidyl]piperidine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-[oxo-(2-phenylcyclopropyl)methyl]-4-piperidinyl]-1-piperidinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]piperidine-1-carbothioamide Traditional Name: N-homoveratryl-4-[1-(2-phenylcyclopropanecarbonyl)-4-piperidyl]piperidine-1-carbothioamide Formula: C31H41N3O3S MolecularWeight: 535.74054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)C3CCN(CC3)C(=O)C4CC4C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)C3CCN(CC3)C(=O)C4CC4C5=CC=CC=C5)OC

InChI

InChI=1S/C31H41N3O3S/c1-36-28-9-8-22(20-29(28)37-2)10-15-32-31(38)34-18-13-24(14-19-34)23-11-16-33(17-12-23)30(35)27-21-26(27)25-6-4-3-5-7-25/h3-9,20,23-24,26-27H,10-19,21H2,1-2H3,(H,32,38)