2-[[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-sulfanylidene-ethanoyl]amino]benzoic acid

Systemtic Name: 2-[[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-sulfanylidene-ethanoyl]amino]benzoic acid Openeye Name: 2-[[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-thioxo-acetyl]amino]benzoic acid CAS Name: 2-[[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-1-oxo-2-sulfanylideneethyl]amino]benzoic acid IUPAC Name: 2-[[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-sulfanylideneacetyl]amino]benzoic acid Traditional Name: 2-[[2-(homopiperonylamino)-2-thioxo-acetyl]amino]benzoic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=S)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=S)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H16N2O5S/c21-16(20-13-4-2-1-3-12(13)18(22)23)17(26)19-8-7-11-5-6-14-15(9-11)25-10-24-14/h1-6,9H,7-8,10H2,(H,19,26)(H,20,21)(H,22,23)