ethyl 2-[3-[4-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[3-[4-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[4-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[4-[[(cyclohexylamino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[4-[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=C(C=C2)N(CCCC3=CC=CC=C3)C(=O)NC4CCCCC4

Isomeric SMILES

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

InChI

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