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

Systemtic Name: 8-[[4-[2-oxidanylidene-1-phenyl-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-oxo-1-phenyl-2-(4-pyridylamino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[4-[[2-oxo-1-phenyl-2-(pyridin-4-ylamino)ethyl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-oxo-1-phenyl-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-1-phenyl-2-(4-pyridylamino)ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C31H23N3O4S MolecularWeight: 533.59702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=NC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=NC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C31H23N3O4S/c35-29(25-10-4-8-20-9-5-11-26(27(20)25)31(37)38)33-22-12-14-24(15-13-22)39-28(21-6-2-1-3-7-21)30(36)34-23-16-18-32-19-17-23/h1-19,28H,(H,33,35)(H,37,38)(H,32,34,36)