2-[(2-quinolin-2-ylsulfanylethanoylamino)carbamoyl]benzoic acid

Systemtic Name: 2-[(2-quinolin-2-ylsulfanylethanoylamino)carbamoyl]benzoic acid Openeye Name: 2-[[[2-(2-quinolylsulfanyl)acetyl]amino]carbamoyl]benzoic acid CAS Name: 2-[oxo-[[1-oxo-2-(2-quinolinylthio)ethyl]hydrazo]methyl]benzoic acid IUPAC Name: 2-[[(2-quinolin-2-ylsulfanylacetyl)amino]carbamoyl]benzoic acid Traditional Name: 2-[[[2-(2-quinolylthio)acetyl]amino]carbamoyl]benzoic acid Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)NNC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)NNC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H15N3O4S/c23-16(11-27-17-10-9-12-5-1-4-8-15(12)20-17)21-22-18(24)13-6-2-3-7-14(13)19(25)26/h1-10H,11H2,(H,21,23)(H,22,24)(H,25,26)