3,4,5-triethoxy-N-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(6-fluoro-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C21H22FN3O4S2 MolecularWeight: 463.545483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C21H22FN3O4S2/c1-4-27-15-9-12(10-16(28-5-2)18(15)29-6-3)19(26)24-20(30)25-21-23-14-8-7-13(22)11-17(14)31-21/h7-11H,4-6H2,1-3H3,(H2,23,24,25,26,30)