N-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[(6-fluoro-1,3-benzothiazol-2-yl)thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C17H14FN3O3S2 MolecularWeight: 391.439763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C17H14FN3O3S2/c1-23-11-4-3-5-12(24-2)14(11)15(22)20-16(25)21-17-19-10-7-6-9(18)8-13(10)26-17/h3-8H,1-2H3,(H2,19,20,21,22,25)