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

Systemtic Name: 8-[[3-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(4-butoxycarbonylanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-[4-[butoxy(oxo)methyl]anilino]-2-oxo-1-phenylethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(4-butoxycarbonylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(4-butoxycarbonylanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C37H32N2O6S MolecularWeight: 632.72478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H32N2O6S/c1-2-3-22-45-37(44)26-18-20-27(21-19-26)38-35(41)33(25-10-5-4-6-11-25)46-29-15-9-14-28(23-29)39-34(40)30-16-7-12-24-13-8-17-31(32(24)30)36(42)43/h4-21,23,33H,2-3,22H2,1H3,(H,38,41)(H,39,40)(H,42,43)