8-[[4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(2-ethyl-6-methyl-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[2-(2-ethyl-6-methylanilino)-2-oxo-1-phenylethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-(2-ethyl-6-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-(2-ethyl-6-methyl-anilino)-2-keto-1-phenyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C35H30N2O4S MolecularWeight: 574.6887

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O)C

InChI

InChI=1S/C35H30N2O4S/c1-3-23-13-7-10-22(2)31(23)37-34(39)32(25-11-5-4-6-12-25)42-27-20-18-26(19-21-27)36-33(38)28-16-8-14-24-15-9-17-29(30(24)28)35(40)41/h4-21,32H,3H2,1-2H3,(H,36,38)(H,37,39)(H,40,41)