dimethyl 5-[(thiophen-2-ylcarbonylamino)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(thiophen-2-ylcarbonylamino)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(thiophene-2-carbonylamino)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(thiophene-2-carbonylamino)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-thenoylamino)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S2/c1-23-14(21)9-6-10(15(22)24-2)8-11(7-9)17-16(25)19-18-13(20)12-4-3-5-26-12/h3-8H,1-2H3,(H,18,20)(H2,17,19,25)