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

Systemtic Name: 6-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,4-dimethoxyphenyl)cinchoninamide Formula: C27H22BrN3O3S MolecularWeight: 548.45088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)OC

InChI

InChI=1S/C27H22BrN3O3S/c1-33-16-8-9-18(24(12-16)34-2)23-13-20(19-11-15(28)7-10-22(19)30-23)26(32)31-27-21(14-29)17-5-3-4-6-25(17)35-27/h7-13H,3-6H2,1-2H3,(H,31,32)