[3-[4-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[4-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[[(hexylamino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl] ester Formula: C32H40N2O3S MolecularWeight: 532.7366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(CCCC1=CC=CC=C1)C2=CC=C(C=C2)SC3=CC=CC(=C3)OC(=O)CCC

Isomeric SMILES

CCCCCCNC(=O)N(CCCC1=CC=CC=C1)C2=CC=C(C=C2)SC3=CC=CC(=C3)OC(=O)CCC

InChI

InChI=1S/C32H40N2O3S/c1-3-5-6-10-23-33-32(36)34(24-12-16-26-14-8-7-9-15-26)27-19-21-29(22-20-27)38-30-18-11-17-28(25-30)37-31(35)13-4-2/h7-9,11,14-15,17-22,25H,3-6,10,12-13,16,23-24H2,1-2H3,(H,33,36)