5-[(2-sulfanylidene-1,3-thiazolidin-3-yl)methylcarbamothioylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(2-sulfanylidene-1,3-thiazolidin-3-yl)methylcarbamothioylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(2-thioxothiazolidin-3-yl)methylcarbamothioylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[sulfanylidene-[(2-sulfanylidene-3-thiazolidinyl)methylamino]methyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(2-sulfanylidene-1,3-thiazolidin-3-yl)methylcarbamothioylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(2-thioxothiazolidin-3-yl)methylthiocarbamoylamino]isophthalic acid Formula: C13H13N3O4S3 MolecularWeight: 371.45502

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=S)N1CNC(=S)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CSC(=S)N1CNC(=S)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H13N3O4S3/c17-10(18)7-3-8(11(19)20)5-9(4-7)15-12(21)14-6-16-1-2-23-13(16)22/h3-5H,1-2,6H2,(H,17,18)(H,19,20)(H2,14,15,21)