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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)SCC(=O)NC4=CC=NC=C4)C(=CC=C2)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)SCC(=O)NC4=CC=NC=C4)C(=CC=C2)C(=O)O

InChI

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