methyl N-(2-cyanoethylcarbamoyl)-N-(2-cyanoethylsulfanylcarbamoyl)carbamimidate

Systemtic Name: methyl N-(2-cyanoethylcarbamoyl)-N-(2-cyanoethylsulfanylcarbamoyl)carbamimidate Openeye Name: 1-(2-cyanoethylcarbamoyl)-3-(2-cyanoethylsulfanyl)-1-(methoxycarbonimidoyl)urea CAS Name: N-[(2-cyanoethylamino)-oxomethyl]-N-[[(2-cyanoethylthio)amino]-oxomethyl]carbamimidic acid methyl ester IUPAC Name: methyl N-(2-cyanoethylcarbamoyl)-N-(2-cyanoethylsulfanylcarbamoyl)carbamimidate Traditional Name: 1-(2-cyanoethylcarbamoyl)-3-(2-cyanoethylthio)-1-(methoxycarbonimidoyl)urea Formula: C10H14N6O3S MolecularWeight: 298.32156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=N)N(C(=O)NCCC#N)C(=O)NSCCC#N

Isomeric SMILES

COC(=N)N(C(=O)NCCC#N)C(=O)NSCCC#N

InChI

InChI=1S/C10H14N6O3S/c1-19-8(13)16(9(17)14-6-2-4-11)10(18)15-20-7-3-5-12/h13H,2-3,6-7H2,1H3,(H,14,17)(H,15,18)