8-[[4-[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[4-[[1-oxo-1-(4-phenoxyanilino)propan-2-yl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-1-methyl-2-(4-phenoxyanilino)ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C33H26N2O5S MolecularWeight: 562.63494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C33H26N2O5S/c1-21(31(36)34-23-13-17-26(18-14-23)40-25-9-3-2-4-10-25)41-27-19-15-24(16-20-27)35-32(37)28-11-5-7-22-8-6-12-29(30(22)28)33(38)39/h2-21H,1H3,(H,34,36)(H,35,37)(H,38,39)