8-[[4-[2-oxidanylidene-2-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[2-oxidanylidene-2-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[4-[[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]-1-phenylethyl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-2-[(5-keto-1-phenyl-2-pyrazolin-3-yl)amino]-1-phenyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C35H26N4O5S MolecularWeight: 614.66974

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

InChI

InChI=1S/C35H26N4O5S/c40-30-21-29(38-39(30)25-13-5-2-6-14-25)37-34(42)32(23-9-3-1-4-10-23)45-26-19-17-24(18-20-26)36-33(41)27-15-7-11-22-12-8-16-28(31(22)27)35(43)44/h1-20,32H,21H2,(H,36,41)(H,43,44)(H,37,38,42)