S-[2-[2-cyclohexylethyl(pyrimidin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-cyclohexylethyl(pyrimidin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl(pyrimidin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[oxo-(4-pyrimidinylmethylamino)methyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl(pyrimidin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl(4-pyrimidylmethylcarbamoyl)amino]ethyl] ester Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCC2=NC=NC=C2

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCC2=NC=NC=C2

InChI

InChI=1S/C18H28N4O2S/c1-15(23)25-12-11-22(10-8-16-5-3-2-4-6-16)18(24)20-13-17-7-9-19-14-21-17/h7,9,14,16H,2-6,8,10-13H2,1H3,(H,20,24)