S-[2-[3-methylbut-3-enyl-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-[3-methylbut-3-enyl-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[3-methylbut-3-enyl-[[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-methylbut-3-enyl-[[[1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]amino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[3-methylbut-3-enyl-[[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]carbamoyl-(3-methylbut-3-enyl)amino]ethyl] ester Formula: C18H32N4O3S MolecularWeight: 384.53668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC(=C)C)CCSC(=O)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC(=C)C)CCSC(=O)C

InChI

InChI=1S/C18H32N4O3S/c1-14(2)6-7-22(12-13-26-16(4)23)18(25)19-15(3)17(24)21-10-8-20(5)9-11-21/h15H,1,6-13H2,2-5H3,(H,19,25)