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

Systemtic Name: 2-[[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-sulfanylidene-ethanoyl]amino]benzoate Openeye Name: 2-[[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-thioxo-acetyl]amino]benzoate CAS Name: 2-[[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-1-oxo-2-sulfanylideneethyl]amino]benzoate IUPAC Name: 2-[[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-sulfanylideneacetyl]amino]benzoate Traditional Name: 2-[[2-(homopiperonylamino)-2-thioxo-acetyl]amino]benzoate Formula: C18H15N2O5S- MolecularWeight: 371.3871

Click to see the large picture

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)/p-1