methyl 2-[3-(dimethylamino)propylcarbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[3-(dimethylamino)propylcarbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[3-(dimethylamino)propylcarbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[3-(dimethylamino)propylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[3-(dimethylamino)propylcarbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[3-(dimethylamino)propylcarbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C12H25N3O3S MolecularWeight: 291.4102

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CN(C)CCCNC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C12H25N3O3S/c1-15(2)8-5-7-13-12(17)14-10(6-9-19-4)11(16)18-3/h10H,5-9H2,1-4H3,(H2,13,14,17)