methyl 4-[(methoxycarbonylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(methoxycarbonylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(methoxycarbonylamino)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[(methoxycarbonylhydrazo)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(methoxycarbonylamino)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(carbomethoxyamino)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5S/c1-19-10(17)8-5-3-7(4-6-8)9(16)13-11(21)14-15-12(18)20-2/h3-6H,1-2H3,(H,15,18)(H2,13,14,16,21)