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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-(phenylmethyl)pyrazolidine-1-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-benzyl-pyrazolidine-1-carboxamide CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-N-(phenylmethyl)-1-pyrazolidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-benzylpyrazolidine-1-carboxamide Traditional Name: N-benzyl-2-(piperonylthiocarbamoyl)pyrazolidine-1-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O3S/c25-19(21-12-15-5-2-1-3-6-15)23-9-4-10-24(23)20(28)22-13-16-7-8-17-18(11-16)27-14-26-17/h1-3,5-8,11H,4,9-10,12-14H2,(H,21,25)(H,22,28)