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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-bromanyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-carbamoyl-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-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-methyl-2-thienyl)cinchoninamide Formula: C26H24BrN3O2S2 MolecularWeight: 554.52166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24BrN3O2S2/c1-3-14-5-7-16-22(10-14)34-26(23(16)24(28)31)30-25(32)18-12-20(21-9-4-13(2)33-21)29-19-8-6-15(27)11-17(18)19/h4,6,8-9,11-12,14H,3,5,7,10H2,1-2H3,(H2,28,31)(H,30,32)