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

Systemtic Name: 8-[[3-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(2-bromoanilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(2-bromoanilino)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(2-bromoanilino)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C26H19BrN2O4S MolecularWeight: 535.40906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H19BrN2O4S/c27-21-12-1-2-13-22(21)29-23(30)15-34-18-9-5-8-17(14-18)28-25(31)19-10-3-6-16-7-4-11-20(24(16)19)26(32)33/h1-14H,15H2,(H,28,31)(H,29,30)(H,32,33)