methyl 4-[(thiophen-2-ylcarbonylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(thiophen-2-ylcarbonylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(thiophene-2-carbonylamino)carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(thiophene-2-carbonylamino)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(2-thenoylamino)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C15H13N3O4S2 MolecularWeight: 363.41142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CS2

InChI

InChI=1S/C15H13N3O4S2/c1-22-14(21)10-6-4-9(5-7-10)12(19)16-15(23)18-17-13(20)11-3-2-8-24-11/h2-8H,1H3,(H,17,20)(H2,16,18,19,23)