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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C22H16FN3OS2 MolecularWeight: 421.510343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H16FN3OS2/c1-13-16(21-24-18-6-2-3-8-19(18)29-21)5-4-7-17(13)25-22(28)26-20(27)14-9-11-15(23)12-10-14/h2-12H,1H3,(H2,25,26,27,28)