N-(2,4-dimethoxyphenyl)-4-[1-(4-phenylphenyl)carbonylpiperidin-4-yl]piperidine-1-carbothioamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-[1-(4-phenylphenyl)carbonylpiperidin-4-yl]piperidine-1-carbothioamide Openeye Name: N-(2,4-dimethoxyphenyl)-4-[1-(4-phenylbenzoyl)-4-piperidyl]piperidine-1-carbothioamide CAS Name: N-(2,4-dimethoxyphenyl)-4-[1-[oxo-(4-phenylphenyl)methyl]-4-piperidinyl]-1-piperidinecarbothioamide IUPAC Name: N-(2,4-dimethoxyphenyl)-4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbothioamide Traditional Name: N-(2,4-dimethoxyphenyl)-4-[1-(4-phenylbenzoyl)-4-piperidyl]piperidine-1-carbothioamide Formula: C32H37N3O3S MolecularWeight: 543.71948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C32H37N3O3S/c1-37-28-12-13-29(30(22-28)38-2)33-32(39)35-20-16-26(17-21-35)25-14-18-34(19-15-25)31(36)27-10-8-24(9-11-27)23-6-4-3-5-7-23/h3-13,22,25-26H,14-21H2,1-2H3,(H,33,39)