N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)-N-homoveratryl-3,6-dihydro-2H-pyridine-1-carbothioamide Formula: C22H25FN2O2S MolecularWeight: 400.509503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O2S/c1-26-20-8-3-16(15-21(20)27-2)9-12-24-22(28)25-13-10-18(11-14-25)17-4-6-19(23)7-5-17/h3-8,10,15H,9,11-14H2,1-2H3,(H,24,28)