8-[[3-[2-(2-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[2-(2-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(2-chlorophenyl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(2-chlorophenyl)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(2-chlorophenyl)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C26H18ClNO4S MolecularWeight: 475.94342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18ClNO4S/c27-22-13-2-1-10-19(22)23(29)15-33-18-9-5-8-17(14-18)28-25(30)20-11-3-6-16-7-4-12-21(24(16)20)26(31)32/h1-14H,15H2,(H,28,30)(H,31,32)