4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-phenylpiperazine-1-carboxamide Traditional Name: N-phenyl-4-(piperonylthiocarbamoyl)piperazine-1-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C(=O)NC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

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