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

Systemtic Name: S-[2-[2-cyclohexylethyl-[[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl-[[1,1-dimethyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[[[2-methyl-1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]amino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl-[[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[[2-keto-1,1-dimethyl-2-(4-methylpiperazino)ethyl]carbamoyl]amino]ethyl] ester Formula: C22H40N4O3S MolecularWeight: 440.643

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NC(C)(C)C(=O)N2CCN(CC2)C

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NC(C)(C)C(=O)N2CCN(CC2)C

InChI

InChI=1S/C22H40N4O3S/c1-18(27)30-17-16-26(11-10-19-8-6-5-7-9-19)21(29)23-22(2,3)20(28)25-14-12-24(4)13-15-25/h19H,5-17H2,1-4H3,(H,23,29)