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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-(4-fluorophenyl)carbonylpiperidin-4-yl]piperidine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-(4-fluorobenzoyl)-4-piperidyl]piperidine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-[(4-fluorophenyl)-oxomethyl]-4-piperidinyl]-1-piperidinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidine-1-carbothioamide Traditional Name: 4-[1-(4-fluorobenzoyl)-4-piperidyl]-N-homoveratryl-piperidine-1-carbothioamide Formula: C28H36FN3O3S MolecularWeight: 513.667143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C28H36FN3O3S/c1-34-25-8-3-20(19-26(25)35-2)9-14-30-28(36)32-17-12-22(13-18-32)21-10-15-31(16-11-21)27(33)23-4-6-24(29)7-5-23/h3-8,19,21-22H,9-18H2,1-2H3,(H,30,36)