N-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: N-(3,5-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=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F)OC

Isomeric SMILES

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

InChI

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