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

Systemtic Name: ethyl 2-[3-[4-[butylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[4-[butylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[4-[[butylamino(oxo)methyl]-phenethylamino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-[butylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[4-[butylcarbamoyl(phenethyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O3S/c1-3-5-19-30-29(33)31(20-18-23-10-7-6-8-11-23)25-14-16-26(17-15-25)35-27-13-9-12-24(21-27)22-28(32)34-4-2/h6-17,21H,3-5,18-20,22H2,1-2H3,(H,30,33)