6-bromanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylphenyl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(p-tolyl)cinchoninamide Formula: C30H28BrN3OS MolecularWeight: 558.53182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C#N

InChI

InChI=1S/C30H28BrN3OS/c1-17-5-7-18(8-6-17)26-15-23(22-14-20(31)10-12-25(22)33-26)28(35)34-29-24(16-32)21-11-9-19(30(2,3)4)13-27(21)36-29/h5-8,10,12,14-15,19H,9,11,13H2,1-4H3,(H,34,35)