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

Systemtic Name: S-[2-[2-cyclohexylethylcarbamoyl-(4-methyl-1-propanoyl-piperazin-2-yl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethylcarbamoyl-(4-methyl-1-propanoyl-piperazin-2-yl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[(2-cyclohexylethylamino)-oxomethyl]-[4-methyl-1-(1-oxopropyl)-2-piperazinyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethylcarbamoyl-(4-methyl-1-propanoylpiperazin-2-yl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethylcarbamoyl-(4-methyl-1-propionyl-piperazin-2-yl)amino]ethyl] ester Formula: C21H38N4O3S MolecularWeight: 426.61642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1N(CCSC(=O)C)C(=O)NCCC2CCCCC2)C

Isomeric SMILES

CCC(=O)N1CCN(CC1N(CCSC(=O)C)C(=O)NCCC2CCCCC2)C

InChI

InChI=1S/C21H38N4O3S/c1-4-20(27)24-13-12-23(3)16-19(24)25(14-15-29-17(2)26)21(28)22-11-10-18-8-6-5-7-9-18/h18-19H,4-16H2,1-3H3,(H,22,28)