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

Systemtic Name: 8-[[4-[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(2-ethyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C30H28N2O4S MolecularWeight: 512.61932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O)C

InChI

InChI=1S/C30H28N2O4S/c1-4-20-9-5-8-18(2)27(20)32-28(33)19(3)37-23-16-14-22(15-17-23)31-29(34)24-12-6-10-21-11-7-13-25(26(21)24)30(35)36/h5-17,19H,4H2,1-3H3,(H,31,34)(H,32,33)(H,35,36)