8-[[4-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-oxo-2-(2-pyridylamino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[4-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-2-(2-pyridylamino)ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C25H19N3O4S/c29-22(28-21-9-1-2-14-26-21)15-33-18-12-10-17(11-13-18)27-24(30)19-7-3-5-16-6-4-8-20(23(16)19)25(31)32/h1-14H,15H2,(H,27,30)(H,31,32)(H,26,28,29)