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

Systemtic Name: 8-[[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-oxo-2-(p-tolyl)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[2-(4-methylphenyl)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-2-(p-tolyl)ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C27H21NO4S MolecularWeight: 455.52494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C27H21NO4S/c1-17-8-10-18(11-9-17)24(29)16-33-21-14-12-20(13-15-21)28-26(30)22-6-2-4-19-5-3-7-23(25(19)22)27(31)32/h2-15H,16H2,1H3,(H,28,30)(H,31,32)