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

Systemtic Name: 8-[[4-[1-(diphenylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[1-methyl-2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[4-[[1-oxo-1-(N-phenylanilino)propan-2-yl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-1-methyl-2-(N-phenylanilino)ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C33H26N2O4S MolecularWeight: 546.63554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H26N2O4S/c1-22(32(37)35(25-12-4-2-5-13-25)26-14-6-3-7-15-26)40-27-20-18-24(19-21-27)34-31(36)28-16-8-10-23-11-9-17-29(30(23)28)33(38)39/h2-22H,1H3,(H,34,36)(H,38,39)