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

Systemtic Name: S-[2-[but-3-enyl-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[but-3-enyl-[[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[but-3-enyl-[[[1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]amino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[but-3-enyl-[[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[but-3-enyl-[[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]carbamoyl]amino]ethyl] ester Formula: C17H30N4O3S MolecularWeight: 370.5101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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