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

Systemtic Name: N-(3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(p-tolyl)cinchoninamide Formula: C30H30BrN3O2S MolecularWeight: 576.5471

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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(=O)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(=O)N

InChI

InChI=1S/C30H30BrN3O2S/c1-16-5-7-17(8-6-16)24-15-22(21-14-19(31)10-12-23(21)33-24)28(36)34-29-26(27(32)35)20-11-9-18(30(2,3)4)13-25(20)37-29/h5-8,10,12,14-15,18H,9,11,13H2,1-4H3,(H2,32,35)(H,34,36)