8-[[3-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-oxo-2-(4-phenoxyanilino)-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[3-[[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-keto-2-(4-phenoxyanilino)-1-phenyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C38H28N2O5S MolecularWeight: 624.70432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

InChI

InChI=1S/C38H28N2O5S/c41-36(32-18-7-12-25-13-8-19-33(34(25)32)38(43)44)40-28-14-9-17-31(24-28)46-35(26-10-3-1-4-11-26)37(42)39-27-20-22-30(23-21-27)45-29-15-5-2-6-16-29/h1-24,35H,(H,39,42)(H,40,41)(H,43,44)