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

Systemtic Name: 6-bromanyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-methyl-2-thienyl)cinchoninamide Formula: C26H22BrN3OS2 MolecularWeight: 536.50638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(S5)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(S5)C

InChI

InChI=1S/C26H22BrN3OS2/c1-3-15-5-7-17-20(13-28)26(33-24(17)10-15)30-25(31)19-12-22(23-9-4-14(2)32-23)29-21-8-6-16(27)11-18(19)21/h4,6,8-9,11-12,15H,3,5,7,10H2,1-2H3,(H,30,31)