ethyl 2-[4-[3-[heptylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[4-[3-[heptylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[4-[3-[heptylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[4-[[3-[[(heptylamino)-oxomethyl]-phenethylamino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[heptylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[4-[[3-[heptylcarbamoyl(phenethyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C32H40N2O3S MolecularWeight: 532.7366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(CCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)OCC

Isomeric SMILES

CCCCCCCNC(=O)N(CCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)OCC

InChI

InChI=1S/C32H40N2O3S/c1-3-5-6-7-11-22-33-32(36)34(23-21-26-13-9-8-10-14-26)28-15-12-16-30(25-28)38-29-19-17-27(18-20-29)24-31(35)37-4-2/h8-10,12-20,25H,3-7,11,21-24H2,1-2H3,(H,33,36)