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

Systemtic Name: 8-[[3-[2-[(2-bromophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(2-bromoanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(2-bromoanilino)-2-oxo-1-phenylethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(2-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(2-bromoanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C32H23BrN2O4S MolecularWeight: 611.50502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC=C2Br)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC=C2Br)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C32H23BrN2O4S/c33-26-17-4-5-18-27(26)35-31(37)29(21-9-2-1-3-10-21)40-23-14-8-13-22(19-23)34-30(36)24-15-6-11-20-12-7-16-25(28(20)24)32(38)39/h1-19,29H,(H,34,36)(H,35,37)(H,38,39)