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

Systemtic Name: [3-[3-[cyclohexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] ethanoate Openeye Name: [3-[3-[cyclohexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] acetate CAS Name: acetic acid [3-[[3-[[(cyclohexylamino)-oxomethyl]-(1-phenylethyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[3-[cyclohexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] acetate Traditional Name: acetic acid [3-[[3-[cyclohexylcarbamoyl(1-phenylethyl)amino]phenyl]thio]phenyl] ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C2=CC(=CC=C2)SC3=CC=CC(=C3)OC(=O)C)C(=O)NC4CCCCC4

Isomeric SMILES

CC(C1=CC=CC=C1)N(C2=CC(=CC=C2)SC3=CC=CC(=C3)OC(=O)C)C(=O)NC4CCCCC4

InChI

InChI=1S/C29H32N2O3S/c1-21(23-11-5-3-6-12-23)31(29(33)30-24-13-7-4-8-14-24)25-15-9-17-27(19-25)35-28-18-10-16-26(20-28)34-22(2)32/h3,5-6,9-12,15-21,24H,4,7-8,13-14H2,1-2H3,(H,30,33)