3-[2-(2-sulfanylethanoylamino)ethylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[2-(2-sulfanylethanoylamino)ethylcarbamothioylamino]benzoic acid Openeye Name: 3-[2-[(2-sulfanylacetyl)amino]ethylcarbamothioylamino]benzoic acid CAS Name: 3-[[[2-[(2-mercapto-1-oxoethyl)amino]ethylamino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[2-[(2-sulfanylacetyl)amino]ethylcarbamothioylamino]benzoic acid Traditional Name: 3-[2-[(2-mercaptoacetyl)amino]ethylthiocarbamoylamino]benzoic acid Formula: C12H15N3O3S2 MolecularWeight: 313.3958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NCCNC(=O)CS)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NCCNC(=O)CS)C(=O)O

InChI

InChI=1S/C12H15N3O3S2/c16-10(7-19)13-4-5-14-12(20)15-9-3-1-2-8(6-9)11(17)18/h1-3,6,19H,4-5,7H2,(H,13,16)(H,17,18)(H2,14,15,20)