methyl (2S)-2-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbothioylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbothioylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-4-ium-1-carbothioyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[2-(dimethylamino)-2-oxoethyl]piperazin-4-ium-1-carbothioyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[2-(dimethylamino)-2-keto-ethyl]piperazin-4-ium-1-carbothioyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H29N4O3S2+ MolecularWeight: 377.54576

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NC(CCSC)C(=O)OC

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C15H28N4O3S2/c1-17(2)13(20)11-18-6-8-19(9-7-18)15(23)16-12(5-10-24-4)14(21)22-3/h12H,5-11H2,1-4H3,(H,16,23)/p+1/t12-/m0/s1