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

Systemtic Name: [6-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]pyridin-3-yl] 2-(dimethylamino)ethanoate Openeye Name: [6-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]-3-pyridyl] 2-(dimethylamino)acetate CAS Name: 2-(dimethylamino)acetic acid [6-[(1E)-1-(carbamothioylhydrazinylidene)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]pyridin-3-yl] 2-(dimethylamino)acetate Traditional Name: 2-(dimethylamino)acetic acid [6-[(E)-C-methyl-N-thioureido-carbonimidoyl]-3-pyridyl] ester Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O2S/c1-8(15-16-12(13)20)10-5-4-9(6-14-10)19-11(18)7-17(2)3/h4-6H,7H2,1-3H3,(H3,13,16,20)/b15-8+