4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-piperonyl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Formula: C22H27N3O5S MolecularWeight: 445.53188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O5S/c1-26-19-11-16(12-20(27-2)21(19)28-3)23-22(31)25-8-6-24(7-9-25)13-15-4-5-17-18(10-15)30-14-29-17/h4-5,10-12H,6-9,13-14H2,1-3H3,(H,23,31)