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

Systemtic Name: 8-[[3-[1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(2-bromophenyl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-(2-bromoanilino)-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(2-bromoanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(2-bromophenyl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H23BrN2O4S MolecularWeight: 563.46222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1Br)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1Br)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C28H23BrN2O4S/c1-2-24(27(33)31-23-15-4-3-14-22(23)29)36-19-11-7-10-18(16-19)30-26(32)20-12-5-8-17-9-6-13-21(25(17)20)28(34)35/h3-16,24H,2H2,1H3,(H,30,32)(H,31,33)(H,34,35)