S-[2-[2-cyclohexylethylcarbamoyl-(4-methyl-1-propanoyl-1,4-diazepan-2-yl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-cyclohexylethylcarbamoyl-(4-methyl-1-propanoyl-1,4-diazepan-2-yl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethylcarbamoyl-(4-methyl-1-propanoyl-1,4-diazepan-2-yl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[(2-cyclohexylethylamino)-oxomethyl]-[4-methyl-1-(1-oxopropyl)-1,4-diazepan-2-yl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethylcarbamoyl-(4-methyl-1-propanoyl-1,4-diazepan-2-yl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethylcarbamoyl-(4-methyl-1-propionyl-1,4-diazepan-2-yl)amino]ethyl] ester Formula: C22H40N4O3S MolecularWeight: 440.643

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCN(CC1N(CCSC(=O)C)C(=O)NCCC2CCCCC2)C

Isomeric SMILES

CCC(=O)N1CCCN(CC1N(CCSC(=O)C)C(=O)NCCC2CCCCC2)C

InChI

InChI=1S/C22H40N4O3S/c1-4-21(28)25-14-8-13-24(3)17-20(25)26(15-16-30-18(2)27)22(29)23-12-11-19-9-6-5-7-10-19/h19-20H,4-17H2,1-3H3,(H,23,29)