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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-4-(2-methylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-4-(o-tolyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-5-keto-2,7,7-trimethyl-4-(o-tolyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide Formula: C27H26BrN3O2S MolecularWeight: 536.48324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)NC4=NC5=C(S4)C=C(C=C5)Br)C

Isomeric SMILES

CC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)NC4=NC5=C(S4)C=C(C=C5)Br)C

InChI

InChI=1S/C27H26BrN3O2S/c1-14-7-5-6-8-17(14)23-22(15(2)29-19-12-27(3,4)13-20(32)24(19)23)25(33)31-26-30-18-10-9-16(28)11-21(18)34-26/h5-11,23,29H,12-13H2,1-4H3,(H,30,31,33)