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

Systemtic Name: [3-[4-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[[(cyclohexylamino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl] ester Formula: C32H38N2O3S MolecularWeight: 530.72072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=CC=C1)SC2=CC=C(C=C2)N(CCCC3=CC=CC=C3)C(=O)NC4CCCCC4

Isomeric SMILES

CCCC(=O)OC1=CC(=CC=C1)SC2=CC=C(C=C2)N(CCCC3=CC=CC=C3)C(=O)NC4CCCCC4

InChI

InChI=1S/C32H38N2O3S/c1-2-11-31(35)37-28-17-9-18-30(24-28)38-29-21-19-27(20-22-29)34(23-10-14-25-12-5-3-6-13-25)32(36)33-26-15-7-4-8-16-26/h3,5-6,9,12-13,17-22,24,26H,2,4,7-8,10-11,14-16,23H2,1H3,(H,33,36)