2-[4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazin-1-yl]-N-methyl-N-phenyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazin-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazin-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[4-[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]-1-piperazinyl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazin-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[4-(1,3-benzodioxol-5-ylthiocarbamoyl)piperazino]-N-methyl-N-phenyl-acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O3S/c1-23(17-5-3-2-4-6-17)20(26)14-24-9-11-25(12-10-24)21(29)22-16-7-8-18-19(13-16)28-15-27-18/h2-8,13H,9-12,14-15H2,1H3,(H,22,29)