methyl 4-[[2-(pyridin-3-ylmethylamino)-2-sulfanylidene-ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-(pyridin-3-ylmethylamino)-2-sulfanylidene-ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-(3-pyridylmethylamino)-2-thioxo-acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(3-pyridinylmethylamino)-2-sulfanylideneethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(pyridin-3-ylmethylamino)-2-sulfanylideneacetyl]amino]benzoate Traditional Name: 4-[[2-(3-pyridylmethylamino)-2-thioxo-acetyl]amino]benzoic acid methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=S)NCC2=CN=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C16H15N3O3S/c1-22-16(21)12-4-6-13(7-5-12)19-14(20)15(23)18-10-11-3-2-8-17-9-11/h2-9H,10H2,1H3,(H,18,23)(H,19,20)