N-(3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-bromophenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-bromophenyl)quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)cinchoninamide Formula: C28H26BrN3O2S MolecularWeight: 548.49394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C28H26BrN3O2S/c1-2-6-16-11-12-20-24(13-16)35-28(25(20)26(30)33)32-27(34)21-15-23(17-7-5-8-18(29)14-17)31-22-10-4-3-9-19(21)22/h3-5,7-10,14-16H,2,6,11-13H2,1H3,(H2,30,33)(H,32,34)