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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-bromanyl-2-(2,5-dimethylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dimethylphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,5-dimethylphenyl)cinchoninamide Formula: C27H24BrN3O2S MolecularWeight: 534.46736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C27H24BrN3O2S/c1-14-7-8-15(2)18(11-14)22-13-20(19-12-16(28)9-10-21(19)30-22)26(33)31-27-24(25(29)32)17-5-3-4-6-23(17)34-27/h7-13H,3-6H2,1-2H3,(H2,29,32)(H,31,33)