ethyl 4-[2-[2-ethanoylsulfanylethyl(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl]benzoate

Systemtic Name: ethyl 4-[2-[2-ethanoylsulfanylethyl(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl]benzoate Openeye Name: ethyl 4-[2-[2-acetylsulfanylethyl-[3-(4-pyridyl)propylcarbamoyl]amino]ethyl]benzoate CAS Name: 4-[2-[2-(acetylthio)ethyl-[oxo-(3-pyridin-4-ylpropylamino)methyl]amino]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-acetylsulfanylethyl(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl]benzoate Traditional Name: 4-[2-[2-(acetylthio)ethyl-[3-(4-pyridyl)propylcarbamoyl]amino]ethyl]benzoic acid ethyl ester Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCN(CCSC(=O)C)C(=O)NCCCC2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCN(CCSC(=O)C)C(=O)NCCCC2=CC=NC=C2

InChI

InChI=1S/C24H31N3O4S/c1-3-31-23(29)22-8-6-21(7-9-22)12-16-27(17-18-32-19(2)28)24(30)26-13-4-5-20-10-14-25-15-11-20/h6-11,14-15H,3-5,12-13,16-18H2,1-2H3,(H,26,30)