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

Systemtic Name: 2-[4-[3-[heptyl(prop-2-enylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[allylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[heptyl-[oxo-(prop-2-enylamino)methyl]amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[heptyl(prop-2-enylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[allylcarbamoyl(heptyl)amino]phenyl]thio]phenyl]acetic acid Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)O)C(=O)NCC=C

Isomeric SMILES

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)O)C(=O)NCC=C

InChI

InChI=1S/C25H32N2O3S/c1-3-5-6-7-8-17-27(25(30)26-16-4-2)21-10-9-11-23(19-21)31-22-14-12-20(13-15-22)18-24(28)29/h4,9-15,19H,2-3,5-8,16-18H2,1H3,(H,26,30)(H,28,29)