[2-(carboxycarbamothioylamino)-3,4-dimethyl-phenyl]carbamothioylcarbamic acid

Systemtic Name: [2-(carboxycarbamothioylamino)-3,4-dimethyl-phenyl]carbamothioylcarbamic acid Openeye Name: [2-(carboxycarbamothioylamino)-3,4-dimethyl-phenyl]carbamothioylcarbamic acid CAS Name: [[2-[[(carboxyamino)-sulfanylidenemethyl]amino]-3,4-dimethylanilino]-sulfanylidenemethyl]carbamic acid IUPAC Name: [2-(carboxycarbamothioylamino)-3,4-dimethylphenyl]carbamothioylcarbamic acid Traditional Name: [2-(carboxythiocarbamoylamino)-3,4-dimethyl-phenyl]thiocarbamoylcarbamic acid Formula: C12H14N4O4S2 MolecularWeight: 342.39396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)NC(=S)NC(=O)O)NC(=S)NC(=O)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)NC(=S)NC(=O)O)NC(=S)NC(=O)O)C

InChI

InChI=1S/C12H14N4O4S2/c1-5-3-4-7(13-9(21)15-11(17)18)8(6(5)2)14-10(22)16-12(19)20/h3-4H,1-2H3,(H,17,18)(H,19,20)(H2,13,15,21)(H2,14,16,22)