2-[4-[4-[heptylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[4-[heptylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[4-[heptylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[4-[[(heptylamino)-oxomethyl]-(1-phenylethyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[4-[heptylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[4-[heptylcarbamoyl(1-phenylethyl)amino]phenyl]thio]phenyl]acetic acid Formula: C30H36N2O3S MolecularWeight: 504.68344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C1=CC=C(C=C1)SC2=CC=C(C=C2)CC(=O)O)C(C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCNC(=O)N(C1=CC=C(C=C1)SC2=CC=C(C=C2)CC(=O)O)C(C)C3=CC=CC=C3

InChI

InChI=1S/C30H36N2O3S/c1-3-4-5-6-10-21-31-30(35)32(23(2)25-11-8-7-9-12-25)26-15-19-28(20-16-26)36-27-17-13-24(14-18-27)22-29(33)34/h7-9,11-20,23H,3-6,10,21-22H2,1-2H3,(H,31,35)(H,33,34)