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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-bromanyl-2-(3-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-m-phenetyl-cinchoninamide Formula: C29H28BrN3O3S MolecularWeight: 578.51992

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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(=CC=C5)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H28BrN3O3S/c1-3-16-8-10-20-25(12-16)37-29(26(20)27(31)34)33-28(35)22-15-24(17-6-5-7-19(13-17)36-4-2)32-23-11-9-18(30)14-21(22)23/h5-7,9,11,13-16H,3-4,8,10,12H2,1-2H3,(H2,31,34)(H,33,35)