8-[[3-[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C31H30N2O4S MolecularWeight: 526.6459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2O4S/c1-4-20-11-6-10-19(3)28(20)33-30(35)26(5-2)38-23-15-9-14-22(18-23)32-29(34)24-16-7-12-21-13-8-17-25(27(21)24)31(36)37/h6-18,26H,4-5H2,1-3H3,(H,32,34)(H,33,35)(H,36,37)