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

Systemtic Name: [3-[3-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[3-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[3-[[(cyclohexylamino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[3-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[3-[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=CC(=C2)N(CCCC3=CC=CC=C3)C(=O)NC4CCCCC4

Isomeric SMILES

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

InChI

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