ethyl 4-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]benzoate

Systemtic Name: ethyl 4-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]benzoate Openeye Name: ethyl 4-[(E)-N-(carbamothioylamino)-C-methyl-carbonimidoyl]benzoate CAS Name: 4-[(1E)-1-(carbamothioylhydrazinylidene)ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]benzoate Traditional Name: 4-[(E)-C-methyl-N-thioureido-carbonimidoyl]benzoic acid ethyl ester Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=NNC(=S)N)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C(=N/NC(=S)N)/C

InChI

InChI=1S/C12H15N3O2S/c1-3-17-11(16)10-6-4-9(5-7-10)8(2)14-15-12(13)18/h4-7H,3H2,1-2H3,(H3,13,15,18)/b14-8+