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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-bromanyl-2-(3-methoxyphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-methoxyphenyl)cinchoninamide Formula: C28H26BrN3O3S MolecularWeight: 564.49334

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H26BrN3O3S/c1-3-15-7-9-19-24(11-15)36-28(25(19)26(30)33)32-27(34)21-14-23(16-5-4-6-18(12-16)35-2)31-22-10-8-17(29)13-20(21)22/h4-6,8,10,12-15H,3,7,9,11H2,1-2H3,(H2,30,33)(H,32,34)