2-[4-[3-[naphthalen-2-ylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[3-[naphthalen-2-ylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[2-naphthylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[[(2-naphthalenylamino)-oxomethyl]-(1-phenylethyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[naphthalen-2-ylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[2-naphthylcarbamoyl(1-phenylethyl)amino]phenyl]thio]phenyl]acetic acid Formula: C33H28N2O3S MolecularWeight: 532.65202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O)C(=O)NC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C1=CC=CC=C1)N(C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O)C(=O)NC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C33H28N2O3S/c1-23(25-8-3-2-4-9-25)35(33(38)34-28-17-16-26-10-5-6-11-27(26)21-28)29-12-7-13-31(22-29)39-30-18-14-24(15-19-30)20-32(36)37/h2-19,21-23H,20H2,1H3,(H,34,38)(H,36,37)