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

Systemtic Name: 3-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]benzoic acid Openeye Name: 3-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[(3S)-1,1-dioxo-3-thiolanyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioylamino]benzoic acid Traditional Name: 3-[[(3S)-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=CC(=C2)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H14N2O4S2/c15-11(16)8-2-1-3-9(6-8)13-12(19)14-10-4-5-20(17,18)7-10/h1-3,6,10H,4-5,7H2,(H,15,16)(H2,13,14,19)/t10-/m0/s1