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

Systemtic Name: 8-[[3-[1-oxidanylidene-1-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-methyl-2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[3-[[1-oxo-1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]propan-2-yl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-oxo-1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-keto-2-[(5-keto-1-phenyl-2-pyrazolin-3-yl)amino]-1-methyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C30H24N4O5S MolecularWeight: 552.60036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C30H24N4O5S/c1-18(28(36)32-25-17-26(35)34(33-25)21-11-3-2-4-12-21)40-22-13-7-10-20(16-22)31-29(37)23-14-5-8-19-9-6-15-24(27(19)23)30(38)39/h2-16,18H,17H2,1H3,(H,31,37)(H,38,39)(H,32,33,36)