ethyl 2-[(Z)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]heptanoate

Systemtic Name: ethyl 2-[(Z)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]heptanoate Openeye Name: ethyl 2-[(Z)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]heptanoate CAS Name: 2-[(1Z)-1-(carbamothioylhydrazinylidene)ethyl]heptanoic acid ethyl ester IUPAC Name: ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate Traditional Name: 2-[(Z)-C-methyl-N-thioureido-carbonimidoyl]enanthic acid ethyl ester Formula: C12H23N3O2S MolecularWeight: 273.39492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=NNC(=S)N)C)C(=O)OCC

Isomeric SMILES

CCCCCC(/C(=N\NC(=S)N)/C)C(=O)OCC

InChI

InChI=1S/C12H23N3O2S/c1-4-6-7-8-10(11(16)17-5-2)9(3)14-15-12(13)18/h10H,4-8H2,1-3H3,(H3,13,15,18)/b14-9-