4-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]benzoic acid Openeye Name: 4-[(1,1-dioxothiolan-3-yl)carbamothioylamino]benzoic acid CAS Name: 4-[[[(1,1-dioxo-3-thiolanyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(1,1-dioxothiolan-3-yl)carbamothioylamino]benzoic acid Traditional Name: 4-[(1,1-diketothiolan-3-yl)thiocarbamoylamino]benzoic acid Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=S)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=S)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H14N2O4S2/c15-11(16)8-1-3-9(4-2-8)13-12(19)14-10-5-6-20(17,18)7-10/h1-4,10H,5-7H2,(H,15,16)(H2,13,14,19)