5-(carbamothioylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(carbamothioylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(carbamothioylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-(carbamothioylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(carbamothioylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-thioureidoisophthalic acid Formula: C9H8N2O4S MolecularWeight: 240.23582

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)NC(=S)N)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)NC(=S)N)C(=O)O

InChI

InChI=1S/C9H8N2O4S/c10-9(16)11-6-2-4(7(12)13)1-5(3-6)8(14)15/h1-3H,(H,12,13)(H,14,15)(H3,10,11,16)