4-(1,2-benzothiazol-3-yl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,2-benzothiazol-3-yl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,2-benzothiazol-3-yl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(1,2-benzothiazol-3-yl)-N-(3,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,2-benzothiazol-3-yl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(1,2-benzothiazol-3-yl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43)OC

InChI

InChI=1S/C20H22N4O2S2/c1-25-15-11-14(12-16(13-15)26-2)21-20(27)24-9-7-23(8-10-24)19-17-5-3-4-6-18(17)28-22-19/h3-6,11-13H,7-10H2,1-2H3,(H,21,27)