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

Systemtic Name: 8-[[4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O)C

InChI

InChI=1S/C29H26N2O4S/c1-3-19-8-4-7-18(2)27(19)31-25(32)17-36-22-15-13-21(14-16-22)30-28(33)23-11-5-9-20-10-6-12-24(26(20)23)29(34)35/h4-16H,3,17H2,1-2H3,(H,30,33)(H,31,32)(H,34,35)