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

Systemtic Name: N-(5-bromanyl-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxidanylidene-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide Openeye Name: N-(5-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide CAS Name: N-(5-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide IUPAC Name: N-(5-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide Traditional Name: N-(5-bromo-1,3-benzothiazol-2-yl)-5-keto-2,7,7-trimethyl-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxamide Formula: C26H24BrN3O2S MolecularWeight: 522.45666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24BrN3O2S/c1-14-21(24(32)30-25-29-17-11-16(27)9-10-20(17)33-25)22(15-7-5-4-6-8-15)23-18(28-14)12-26(2,3)13-19(23)31/h4-11,22,28H,12-13H2,1-3H3,(H,29,30,32)