ethyl 2-[3-[3-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[3-[3-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[3-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[3-[[(cyclohexylamino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[3-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C32H38N2O3S MolecularWeight: 530.72072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=CC=C1)SC2=CC=CC(=C2)N(CCCC3=CC=CC=C3)C(=O)NC4CCCCC4

Isomeric SMILES

CCOC(=O)CC1=CC(=CC=C1)SC2=CC=CC(=C2)N(CCCC3=CC=CC=C3)C(=O)NC4CCCCC4

InChI

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