N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxamide Formula: C26H23BrFN3O2S MolecularWeight: 540.447123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)F)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)F)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br

InChI

InChI=1S/C26H23BrFN3O2S/c1-13-21(24(33)31-25-30-17-9-6-15(27)10-20(17)34-25)22(14-4-7-16(28)8-5-14)23-18(29-13)11-26(2,3)12-19(23)32/h4-10,22,29H,11-12H2,1-3H3,(H,30,31,33)