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

Systemtic Name: methyl 2-[3-(diethylamino)propylcarbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[3-(diethylamino)propylcarbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[3-(diethylamino)propylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[3-(diethylamino)propylcarbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[3-(diethylamino)propylcarbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C14H29N3O3S MolecularWeight: 319.46336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCN(CC)CCCNC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C14H29N3O3S/c1-5-17(6-2)10-7-9-15-14(19)16-12(8-11-21-4)13(18)20-3/h12H,5-11H2,1-4H3,(H2,15,16,19)