S-[2-[2-cyclohexylethyl(1-pyridin-4-ylethylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-cyclohexylethyl(1-pyridin-4-ylethylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl-[1-(4-pyridyl)ethylcarbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[oxo-(1-pyridin-4-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl(1-pyridin-4-ylethylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[1-(4-pyridyl)ethylcarbamoyl]amino]ethyl] ester Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC(=O)N(CCC2CCCCC2)CCSC(=O)C

Isomeric SMILES

CC(C1=CC=NC=C1)NC(=O)N(CCC2CCCCC2)CCSC(=O)C

InChI

InChI=1S/C20H31N3O2S/c1-16(19-8-11-21-12-9-19)22-20(25)23(14-15-26-17(2)24)13-10-18-6-4-3-5-7-18/h8-9,11-12,16,18H,3-7,10,13-15H2,1-2H3,(H,22,25)