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

Systemtic Name: 6-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethylphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethylphenyl)cinchoninamide Formula: C27H22BrN3OS MolecularWeight: 516.45208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C27H22BrN3OS/c1-2-16-7-9-17(10-8-16)24-14-21(20-13-18(28)11-12-23(20)30-24)26(32)31-27-22(15-29)19-5-3-4-6-25(19)33-27/h7-14H,2-6H2,1H3,(H,31,32)