[3-[4-[cyclohexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[4-[cyclohexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[cyclohexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[[(cyclohexylamino)-oxomethyl]-(1-phenylethyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[cyclohexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[cyclohexylcarbamoyl(1-phenylethyl)amino]phenyl]thio]phenyl] ester Formula: C31H36N2O3S MolecularWeight: 516.69414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N2O3S/c1-3-11-30(34)36-27-16-10-17-29(22-27)37-28-20-18-26(19-21-28)33(23(2)24-12-6-4-7-13-24)31(35)32-25-14-8-5-9-15-25/h4,6-7,10,12-13,16-23,25H,3,5,8-9,11,14-15H2,1-2H3,(H,32,35)