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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)carbonyl-piperidine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorobenzoyl)piperidine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)-oxomethyl]-1-piperidinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorobenzoyl)piperidine-1-carbothioamide Traditional Name: 4-(4-fluorobenzoyl)-N-homoveratryl-piperidine-1-carbothioamide Formula: C23H27FN2O3S MolecularWeight: 430.535483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)C(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCC(CC2)C(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C23H27FN2O3S/c1-28-20-8-3-16(15-21(20)29-2)9-12-25-23(30)26-13-10-18(11-14-26)22(27)17-4-6-19(24)7-5-17/h3-8,15,18H,9-14H2,1-2H3,(H,25,30)