4-[(1-quinolin-2-ylethylideneamino)carbamothioylamino]benzoic acid

Systemtic Name: 4-[(1-quinolin-2-ylethylideneamino)carbamothioylamino]benzoic acid Openeye Name: 4-[[1-(2-quinolyl)ethylideneamino]carbamothioylamino]benzoic acid CAS Name: 4-[[[2-[1-(2-quinolinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(1-quinolin-2-ylethylideneamino)carbamothioylamino]benzoic acid Traditional Name: 4-[[1-(2-quinolyl)ethylideneamino]thiocarbamoylamino]benzoic acid Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC=C(C=C1)C(=O)O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(=NNC(=S)NC1=CC=C(C=C1)C(=O)O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H16N4O2S/c1-12(16-11-8-13-4-2-3-5-17(13)21-16)22-23-19(26)20-15-9-6-14(7-10-15)18(24)25/h2-11H,1H3,(H,24,25)(H2,20,23,26)