[6-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]pyridin-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [6-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]pyridin-3-yl] 2,2-dimethylpropanoate Openeye Name: [6-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]-3-pyridyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-[(1E)-1-(carbamothioylhydrazinylidene)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]pyridin-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [6-[(E)-C-methyl-N-thioureido-carbonimidoyl]-3-pyridyl] ester Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)C1=NC=C(C=C1)OC(=O)C(C)(C)C

Isomeric SMILES

C/C(=N\NC(=S)N)/C1=NC=C(C=C1)OC(=O)C(C)(C)C

InChI

InChI=1S/C13H18N4O2S/c1-8(16-17-12(14)20)10-6-5-9(7-15-10)19-11(18)13(2,3)4/h5-7H,1-4H3,(H3,14,17,20)/b16-8+