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

Systemtic Name: 2-[4-[3-[butylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[butylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[[butylamino(oxo)methyl]-(1-phenylethyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[butylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[butylcarbamoyl(1-phenylethyl)amino]phenyl]thio]phenyl]acetic acid Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O3S/c1-3-4-17-28-27(32)29(20(2)22-9-6-5-7-10-22)23-11-8-12-25(19-23)33-24-15-13-21(14-16-24)18-26(30)31/h5-16,19-20H,3-4,17-18H2,1-2H3,(H,28,32)(H,30,31)