N-(3-bromophenyl)-4-fluoranyl-2-(3-morpholin-4-ylpropyl)-2H-1,3-benzothiazole-3-carbothioamide

Systemtic Name: N-(3-bromophenyl)-4-fluoranyl-2-(3-morpholin-4-ylpropyl)-2H-1,3-benzothiazole-3-carbothioamide Openeye Name: N-(3-bromophenyl)-4-fluoro-2-(3-morpholinopropyl)-2H-1,3-benzothiazole-3-carbothioamide CAS Name: N-(3-bromophenyl)-4-fluoro-2-[3-(4-morpholinyl)propyl]-2H-1,3-benzothiazole-3-carbothioamide IUPAC Name: N-(3-bromophenyl)-4-fluoro-2-(3-morpholin-4-ylpropyl)-2H-1,3-benzothiazole-3-carbothioamide Traditional Name: N-(3-bromophenyl)-4-fluoro-2-(3-morpholinopropyl)-2H-1,3-benzothiazole-3-carbothioamide Formula: C21H23BrFN3OS2 MolecularWeight: 496.459223

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCC2N(C3=C(C=CC=C3S2)F)C(=S)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCN1CCCC2N(C3=C(C=CC=C3S2)F)C(=S)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H23BrFN3OS2/c22-15-4-1-5-16(14-15)24-21(28)26-19(8-3-9-25-10-12-27-13-11-25)29-18-7-2-6-17(23)20(18)26/h1-2,4-7,14,19H,3,8-13H2,(H,24,28)