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

Systemtic Name: ethyl 2-[4-[3-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[4-[3-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[4-[[3-[[(cyclohexylamino)-oxomethyl]-phenethylamino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[4-[[3-[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=C(C=C1)SC2=CC=CC(=C2)N(CCC3=CC=CC=C3)C(=O)NC4CCCCC4

Isomeric SMILES

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

InChI

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