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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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