N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-o-phenetyl-piperazine-1-carbothioamide Formula: C23H31N3O3S MolecularWeight: 429.57554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31N3O3S/c1-4-29-20-8-6-5-7-19(20)25-13-15-26(16-14-25)23(30)24-12-11-18-9-10-21(27-2)22(17-18)28-3/h5-10,17H,4,11-16H2,1-3H3,(H,24,30)