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

Systemtic Name: ethyl 2-[3-[4-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[4-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[4-[[(cyclohexylamino)-oxomethyl]-phenethylamino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[4-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C31H36N2O3S MolecularWeight: 516.69414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=CC=C1)SC2=CC=C(C=C2)N(CCC3=CC=CC=C3)C(=O)NC4CCCCC4

Isomeric SMILES

CCOC(=O)CC1=CC(=CC=C1)SC2=CC=C(C=C2)N(CCC3=CC=CC=C3)C(=O)NC4CCCCC4

InChI

InChI=1S/C31H36N2O3S/c1-2-36-30(34)23-25-12-9-15-29(22-25)37-28-18-16-27(17-19-28)33(21-20-24-10-5-3-6-11-24)31(35)32-26-13-7-4-8-14-26/h3,5-6,9-12,15-19,22,26H,2,4,7-8,13-14,20-21,23H2,1H3,(H,32,35)