S-[2-[3-(2-cyclohexylethylcarbamoylamino)-2-propanoyl-morpholin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-2-propanoyl-morpholin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-2-propanoyl-morpholin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-[[(2-cyclohexylethylamino)-oxomethyl]amino]-2-(1-oxopropyl)-2-morpholinyl]ethyl] ester IUPAC Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-2-propanoylmorpholin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-(2-cyclohexylethylcarbamoylamino)-2-propionyl-morpholin-2-yl]ethyl] ester Formula: C20H35N3O4S MolecularWeight: 413.5746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C(NCCO1)NC(=O)NCCC2CCCCC2)CCSC(=O)C

Isomeric SMILES

CCC(=O)C1(C(NCCO1)NC(=O)NCCC2CCCCC2)CCSC(=O)C

InChI

InChI=1S/C20H35N3O4S/c1-3-17(25)20(10-14-28-15(2)24)18(21-12-13-27-20)23-19(26)22-11-9-16-7-5-4-6-8-16/h16,18,21H,3-14H2,1-2H3,(H2,22,23,26)