N-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide CAS Name: N-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide Formula: C19H22FN3O2S MolecularWeight: 375.460283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C19H22FN3O2S/c1-24-17-8-5-15(13-18(17)25-2)21-19(26)23-11-9-22(10-12-23)16-6-3-14(20)4-7-16/h3-8,13H,9-12H2,1-2H3,(H,21,26)