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

Systemtic Name: S-[2-[3-(but-3-enylcarbamoylamino)-4-methyl-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[3-(but-3-enylcarbamoylamino)-4-methyl-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-[[(but-3-enylamino)-oxomethyl]amino]-4-methyl-1-(1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[3-(but-3-enylcarbamoylamino)-4-methyl-1-propanoylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-(but-3-enylcarbamoylamino)-4-methyl-1-propionyl-piperazin-2-yl]ethyl] ester Formula: C17H30N4O3S MolecularWeight: 370.5101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N4O3S/c1-5-7-9-18-17(24)19-16-14(8-12-25-13(3)22)21(15(23)6-2)11-10-20(16)4/h5,14,16H,1,6-12H2,2-4H3,(H2,18,19,24)