2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-N-(2,6-diethylphenyl)-1-pyrazolidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide Traditional Name: N-(2,6-diethylphenyl)-2-(piperonylthiocarbamoyl)pyrazolidine-1-carboxamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N4O3S/c1-3-17-7-5-8-18(4-2)21(17)25-22(28)26-11-6-12-27(26)23(31)24-14-16-9-10-19-20(13-16)30-15-29-19/h5,7-10,13H,3-4,6,11-12,14-15H2,1-2H3,(H,24,31)(H,25,28)