N-(5-bromanylpyridin-2-yl)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-5-keto-2,7,7-trimethyl-4-(2-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide Formula: C22H22BrN3O2S MolecularWeight: 472.39798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CS3)C(=O)NC4=NC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CS3)C(=O)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O2S/c1-12-18(21(28)26-17-7-6-13(23)11-24-17)20(16-5-4-8-29-16)19-14(25-12)9-22(2,3)10-15(19)27/h4-8,11,20,25H,9-10H2,1-3H3,(H,24,26,28)