2-[[(E)-1,3-benzodioxol-5-ylmethylideneamino]carbamothioylamino]ethanoic acid

Systemtic Name: 2-[[(E)-1,3-benzodioxol-5-ylmethylideneamino]carbamothioylamino]ethanoic acid Openeye Name: 2-[[(E)-1,3-benzodioxol-5-ylmethyleneamino]carbamothioylamino]acetic acid CAS Name: 2-[[[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[[(E)-1,3-benzodioxol-5-ylmethylideneamino]carbamothioylamino]acetic acid Traditional Name: 2-[[(E)-piperonylideneamino]thiocarbamoylamino]acetic acid Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=S)NCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=S)NCC(=O)O

InChI

InChI=1S/C11H11N3O4S/c15-10(16)5-12-11(19)14-13-4-7-1-2-8-9(3-7)18-6-17-8/h1-4H,5-6H2,(H,15,16)(H2,12,14,19)/b13-4+