N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2-methyl-1,3-dioxo-isoindolin-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(2-methyl-1,3-dioxo-5-isoindolyl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(1,3-diketo-2-methyl-isoindolin-5-yl)thiocarbamoyl]-piperonylamide Formula: C18H13N3O5S MolecularWeight: 383.37792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H13N3O5S/c1-21-16(23)11-4-3-10(7-12(11)17(21)24)19-18(27)20-15(22)9-2-5-13-14(6-9)26-8-25-13/h2-7H,8H2,1H3,(H2,19,20,22,27)