N-[4-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)phenyl]sulfonylethanimidate

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)phenyl]sulfonylethanimidate Openeye Name: N-[4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)phenyl]sulfonylethanimidate CAS Name: N-[4-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]phenyl]sulfonylethanimidate IUPAC Name: N-[4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)phenyl]sulfonylethanimidate Traditional Name: N-[4-(piperonyloylthiocarbamoylamino)phenyl]sulfonylacetimidate Formula: C17H14N3O6S2- MolecularWeight: 420.43956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)[O-]

Isomeric SMILES

CC(=NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)[O-]

InChI

InChI=1S/C17H15N3O6S2/c1-10(21)20-28(23,24)13-5-3-12(4-6-13)18-17(27)19-16(22)11-2-7-14-15(8-11)26-9-25-14/h2-8H,9H2,1H3,(H,20,21)(H2,18,19,22,27)/p-1