methyl 2-[(4-methylpiperazin-1-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(4-methylpiperazin-1-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(4-methylpiperazine-1-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylpiperazine-1-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-methylpiperazine-1-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C12H23N3O3S MolecularWeight: 289.39432

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C12H23N3O3S/c1-14-5-7-15(8-6-14)12(17)13-10(4-9-19-3)11(16)18-2/h10H,4-9H2,1-3H3,(H,13,17)