4-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenyl-piperidine-1-carbothioamide

Systemtic Name: 4-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenyl-piperidine-1-carbothioamide Openeye Name: 4-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenyl-piperidine-1-carbothioamide CAS Name: 4-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenyl-1-piperidinecarbothioamide IUPAC Name: 4-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylpiperidine-1-carbothioamide Traditional Name: 4-cyano-N-homoveratryl-4-phenyl-piperidine-1-carbothioamide Formula: C23H27N3O2S MolecularWeight: 409.54438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H27N3O2S/c1-27-20-9-8-18(16-21(20)28-2)10-13-25-22(29)26-14-11-23(17-24,12-15-26)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,25,29)