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

Systemtic Name: 8-[[3-[2-(naphthalen-1-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(1-naphthylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(1-naphthalenylamino)-2-oxo-1-phenylethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-keto-2-(1-naphthylamino)-1-phenyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C36H26N2O4S MolecularWeight: 582.66764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC3=CC=CC=C32)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=CC3=CC=CC=C32)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

InChI

InChI=1S/C36H26N2O4S/c39-34(29-19-6-14-24-15-7-20-30(32(24)29)36(41)42)37-26-16-9-17-27(22-26)43-33(25-11-2-1-3-12-25)35(40)38-31-21-8-13-23-10-4-5-18-28(23)31/h1-22,33H,(H,37,39)(H,38,40)(H,41,42)