4-[(4-nitrophenyl)carbamothioylamino]quinoline-2-carboxylic acid

Systemtic Name: 4-[(4-nitrophenyl)carbamothioylamino]quinoline-2-carboxylic acid Openeye Name: 4-[(4-nitrophenyl)carbamothioylamino]quinoline-2-carboxylic acid CAS Name: 4-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-2-quinolinecarboxylic acid IUPAC Name: 4-[(4-nitrophenyl)carbamothioylamino]quinoline-2-carboxylic acid Traditional Name: 4-[(4-nitrophenyl)thiocarbamoylamino]quinaldic acid Formula: C17H12N4O4S MolecularWeight: 368.36658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C(=O)O)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C(=O)O)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O4S/c22-16(23)15-9-14(12-3-1-2-4-13(12)19-15)20-17(26)18-10-5-7-11(8-6-10)21(24)25/h1-9H,(H,22,23)(H2,18,19,20,26)