2-diethylaminoethyl N'-(3-methyl-2-oxidanylidene-butanoyl)carbamimidothioate hydrochloride

Systemtic Name: 2-diethylaminoethyl N'-(3-methyl-2-oxidanylidene-butanoyl)carbamimidothioate hydrochloride Openeye Name: N-[amino(2-diethylaminoethylsulfanyl)methylene]-3-methyl-2-oxo-butanamide hydrochloride CAS Name: N'-(3-methyl-1,2-dioxobutyl)carbamimidothioic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl N'-(3-methyl-2-oxobutanoyl)carbamimidothioate hydrochloride Traditional Name: N-[amino-(2-diethylaminoethylthio)methylene]-2-keto-3-methyl-butyramide hydrochloride Formula: C12H24ClN3O2S MolecularWeight: 309.85586

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC(=NC(=O)C(=O)C(C)C)N.Cl

Isomeric SMILES

CCN(CC)CCSC(=NC(=O)C(=O)C(C)C)N.Cl

InChI

InChI=1S/C12H23N3O2S.ClH/c1-5-15(6-2)7-8-18-12(13)14-11(17)10(16)9(3)4;/h9H,5-8H2,1-4H3,(H2,13,14,17);1H