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

Systemtic Name: ethyl 2-[3-[4-[hexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[4-[hexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[4-[[(hexylamino)-oxomethyl]-phenethylamino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-[hexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[4-[hexylcarbamoyl(phenethyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C31H38N2O3S MolecularWeight: 518.71002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(CCC1=CC=CC=C1)C2=CC=C(C=C2)SC3=CC=CC(=C3)CC(=O)OCC

Isomeric SMILES

CCCCCCNC(=O)N(CCC1=CC=CC=C1)C2=CC=C(C=C2)SC3=CC=CC(=C3)CC(=O)OCC

InChI

InChI=1S/C31H38N2O3S/c1-3-5-6-10-21-32-31(35)33(22-20-25-12-8-7-9-13-25)27-16-18-28(19-17-27)37-29-15-11-14-26(23-29)24-30(34)36-4-2/h7-9,11-19,23H,3-6,10,20-22,24H2,1-2H3,(H,32,35)