S-[2-[methyl-[[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-[methyl-[[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[methyl-[[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[methyl-[[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]amino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[methyl-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-keto-2-(4-methylpiperazino)ethyl]carbamoyl-methyl-amino]ethyl] ester Formula: C13H24N4O3S MolecularWeight: 316.41966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(C)C(=O)NCC(=O)N1CCN(CC1)C

Isomeric SMILES

CC(=O)SCCN(C)C(=O)NCC(=O)N1CCN(CC1)C

InChI

InChI=1S/C13H24N4O3S/c1-11(18)21-9-8-16(3)13(20)14-10-12(19)17-6-4-15(2)5-7-17/h4-10H2,1-3H3,(H,14,20)