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

Systemtic Name: N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-fluorobenzamide Traditional Name: N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-fluoro-benzamide Formula: C17H14FN3OS2 MolecularWeight: 359.440963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C17H14FN3OS2/c1-9-6-10(2)14-13(7-9)24-17(19-14)21-16(23)20-15(22)11-4-3-5-12(18)8-11/h3-8H,1-2H3,(H2,19,20,21,22,23)