S-[2-[4-methyl-3-(3-methylbut-3-enylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[4-methyl-3-(3-methylbut-3-enylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-methyl-3-(3-methylbut-3-enylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-3-[[(3-methylbut-3-enylamino)-oxomethyl]amino]-1-(1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-3-(3-methylbut-3-enylcarbamoylamino)-1-propanoylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-methyl-3-(3-methylbut-3-enylcarbamoylamino)-1-propionyl-piperazin-2-yl]ethyl] ester Formula: C18H32N4O3S MolecularWeight: 384.53668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCC(=C)C)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCC(=C)C)C

InChI

InChI=1S/C18H32N4O3S/c1-6-16(24)22-11-10-21(5)17(15(22)8-12-26-14(4)23)20-18(25)19-9-7-13(2)3/h15,17H,2,6-12H2,1,3-5H3,(H2,19,20,25)