tert-butyl N-[1-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-oxidanyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-cyclohexyl-4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-oxidanyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(cyclohexylmethyl)-2-hydroxy-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-propyl]carbamate CAS Name: N-[1-cyclohexyl-3-hydroxy-4-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-cyclohexyl-3-hydroxy-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbutan-2-yl]carbamate Traditional Name: N-[1-(cyclohexylmethyl)-2-hydroxy-3-[[2-keto-2-(4-methylpiperazino)ethyl]thio]propyl]carbamic acid tert-butyl ester Formula: C22H41N3O4S MolecularWeight: 443.64364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(CSCC(=O)N2CCN(CC2)C)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(CSCC(=O)N2CCN(CC2)C)O

InChI

InChI=1S/C22H41N3O4S/c1-22(2,3)29-21(28)23-18(14-17-8-6-5-7-9-17)19(26)15-30-16-20(27)25-12-10-24(4)11-13-25/h17-19,26H,5-16H2,1-4H3,(H,23,28)