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

Systemtic Name: 8-[[4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(2-methylanilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[2-(2-methylanilino)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-2-(o-toluidino)ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C27H22N2O4S/c1-17-6-2-3-11-23(17)29-24(30)16-34-20-14-12-19(13-15-20)28-26(31)21-9-4-7-18-8-5-10-22(25(18)21)27(32)33/h2-15H,16H2,1H3,(H,28,31)(H,29,30)(H,32,33)