N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,4-trimethoxyphenyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,4-trimethoxyphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,4-trimethoxybenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[oxo-(2,3,4-trimethoxyphenyl)methyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,4-trimethoxybenzoyl)pyrazolidine-1-carbothioamide Traditional Name: N-piperonyl-2-(2,3,4-trimethoxybenzoyl)pyrazolidine-1-carbothioamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S/c1-27-17-8-6-15(19(28-2)20(17)29-3)21(26)24-9-4-10-25(24)22(32)23-12-14-5-7-16-18(11-14)31-13-30-16/h5-8,11H,4,9-10,12-13H2,1-3H3,(H,23,32)