2-[(ethylcarbamothioylamino)methyl]-3,4,6-tris(fluoranyl)-5-sulfanyl-benzoic acid

Systemtic Name: 2-[(ethylcarbamothioylamino)methyl]-3,4,6-tris(fluoranyl)-5-sulfanyl-benzoic acid Openeye Name: 2-[(ethylcarbamothioylamino)methyl]-3,4,6-trifluoro-5-sulfanyl-benzoic acid CAS Name: 2-[[[ethylamino(sulfanylidene)methyl]amino]methyl]-3,4,6-trifluoro-5-mercaptobenzoic acid IUPAC Name: 2-[(ethylcarbamothioylamino)methyl]-3,4,6-trifluoro-5-sulfanylbenzoic acid Traditional Name: 2-[(ethylthiocarbamoylamino)methyl]-3,4,6-trifluoro-5-mercapto-benzoic acid Formula: C11H11F3N2O2S2 MolecularWeight: 324.34245

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NCC1=C(C(=C(C(=C1F)F)S)F)C(=O)O

Isomeric SMILES

CCNC(=S)NCC1=C(C(=C(C(=C1F)F)S)F)C(=O)O

InChI

InChI=1S/C11H11F3N2O2S2/c1-2-15-11(20)16-3-4-5(10(17)18)7(13)9(19)8(14)6(4)12/h19H,2-3H2,1H3,(H,17,18)(H2,15,16,20)