N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2,3,4-trimethoxyphenyl)ethanoyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2,3,4-trimethoxyphenyl)ethanoyl]pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2,3,4-trimethoxyphenyl)acetyl]pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2,3,4-trimethoxyphenyl)acetyl]pyrazolidine-1-carbothioamide Traditional Name: N-piperonyl-2-[2-(2,3,4-trimethoxyphenyl)acetyl]pyrazolidine-1-carbothioamide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4)OC)OC

InChI

InChI=1S/C23H27N3O6S/c1-28-18-8-6-16(21(29-2)22(18)30-3)12-20(27)25-9-4-10-26(25)23(33)24-13-15-5-7-17-19(11-15)32-14-31-17/h5-8,11H,4,9-10,12-14H2,1-3H3,(H,24,33)