N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C24H32FN3O2S MolecularWeight: 445.593183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CC3=CC=C(C=C3)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CC3=CC=C(C=C3)F)OCC

InChI

InChI=1S/C24H32FN3O2S/c1-3-29-22-10-7-19(17-23(22)30-4-2)11-12-26-24(31)28-15-13-27(14-16-28)18-20-5-8-21(25)9-6-20/h5-10,17H,3-4,11-16,18H2,1-2H3,(H,26,31)