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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC(=CC=C4)F

InChI

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