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

Systemtic Name: 8-[[3-[1-oxidanylidene-1-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[3-[[1-oxo-1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]butan-2-yl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-oxo-1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(5-keto-1-phenyl-2-pyrazolin-3-yl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C31H26N4O5S MolecularWeight: 566.62694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C31H26N4O5S/c1-2-25(30(38)33-26-18-27(36)35(34-26)21-12-4-3-5-13-21)41-22-14-8-11-20(17-22)32-29(37)23-15-6-9-19-10-7-16-24(28(19)23)31(39)40/h3-17,25H,2,18H2,1H3,(H,32,37)(H,39,40)(H,33,34,38)