N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromanyl-2-fluoranyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromanyl-2-fluoranyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-bromo-2-fluoro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-bromo-2-fluoro-benzamide Formula: C22H16BrFN2OS2 MolecularWeight: 487.407643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=C(C=C3)Br)F)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=C(C=C3)Br)F)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H16BrFN2OS2/c23-12-9-10-13(15(24)11-12)20(27)26-22-19(14-5-1-3-7-17(14)28-22)21-25-16-6-2-4-8-18(16)29-21/h2,4,6,8-11H,1,3,5,7H2,(H,26,27)