2-[3-[3-[phenethyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[3-[3-[phenethyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[3-[phenethyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[3-[[oxo-(phenethylamino)methyl]-phenethylamino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[3-[phenethyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[3-[phenethyl(phenethylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid Formula: C31H30N2O3S MolecularWeight: 510.6465

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)N(CCC2=CC=CC=C2)C3=CC(=CC=C3)SC4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)N(CCC2=CC=CC=C2)C3=CC(=CC=C3)SC4=CC=CC(=C4)CC(=O)O

InChI

InChI=1S/C31H30N2O3S/c34-30(35)22-26-13-7-15-28(21-26)37-29-16-8-14-27(23-29)33(20-18-25-11-5-2-6-12-25)31(36)32-19-17-24-9-3-1-4-10-24/h1-16,21,23H,17-20,22H2,(H,32,36)(H,34,35)