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

Systemtic Name: 2-[4-[3-[1-phenylethyl(prop-2-enylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[allylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[[oxo-(prop-2-enylamino)methyl]-(1-phenylethyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[1-phenylethyl(prop-2-enylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[allylcarbamoyl(1-phenylethyl)amino]phenyl]thio]phenyl]acetic acid Formula: C26H26N2O3S MolecularWeight: 446.56124

Click to see the large picture

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)NCC=C

Isomeric SMILES

CC(C1=CC=CC=C1)N(C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O)C(=O)NCC=C

InChI

InChI=1S/C26H26N2O3S/c1-3-16-27-26(31)28(19(2)21-8-5-4-6-9-21)22-10-7-11-24(18-22)32-23-14-12-20(13-15-23)17-25(29)30/h3-15,18-19H,1,16-17H2,2H3,(H,27,31)(H,29,30)