[5-(carbamothioylamino)-2-(methylamino)phenyl]methyl-carboxy-carbamic acid

Systemtic Name: [5-(carbamothioylamino)-2-(methylamino)phenyl]methyl-carboxy-carbamic acid Openeye Name: [5-(carbamothioylamino)-2-(methylamino)phenyl]methyl-carboxy-carbamic acid CAS Name: [5-(carbamothioylamino)-2-(methylamino)phenyl]methyl-carboxycarbamic acid IUPAC Name: [5-(carbamothioylamino)-2-(methylamino)phenyl]methyl-carboxycarbamic acid Traditional Name: carboxy-[2-(methylamino)-5-thioureido-benzyl]carbamic acid Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)NC(=S)N)CN(C(=O)O)C(=O)O

Isomeric SMILES

CNC1=C(C=C(C=C1)NC(=S)N)CN(C(=O)O)C(=O)O

InChI

InChI=1S/C11H14N4O4S/c1-13-8-3-2-7(14-9(12)20)4-6(8)5-15(10(16)17)11(18)19/h2-4,13H,5H2,1H3,(H,16,17)(H,18,19)(H3,12,14,20)