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

Systemtic Name: 2-diethylaminoethyl N'-(3-methyl-2-oxidanylidene-butanoyl)carbamimidothioate Openeye Name: N-[amino(2-diethylaminoethylsulfanyl)methylene]-3-methyl-2-oxo-butanamide CAS Name: N'-(3-methyl-1,2-dioxobutyl)carbamimidothioic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl N'-(3-methyl-2-oxobutanoyl)carbamimidothioate Traditional Name: N-[amino-(2-diethylaminoethylthio)methylene]-2-keto-3-methyl-butyramide Formula: C12H23N3O2S MolecularWeight: 273.39492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N3O2S/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)