2-[4-[3-[3-phenylpropyl(prop-2-enylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[3-[3-phenylpropyl(prop-2-enylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[allylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[[oxo-(prop-2-enylamino)methyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[3-phenylpropyl(prop-2-enylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[allylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N(CCCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C=CCNC(=O)N(CCCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C27H28N2O3S/c1-2-17-28-27(32)29(18-7-10-21-8-4-3-5-9-21)23-11-6-12-25(20-23)33-24-15-13-22(14-16-24)19-26(30)31/h2-6,8-9,11-16,20H,1,7,10,17-19H2,(H,28,32)(H,30,31)