N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-bromophenyl)-6,8-dimethyl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-bromophenyl)-6,8-dimethyl-quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethylquinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-cinchoninamide Formula: C27H24BrN3O2S MolecularWeight: 534.46736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)C

InChI

InChI=1S/C27H24BrN3O2S/c1-14-10-15(2)24-19(11-14)20(13-21(30-24)16-6-5-7-17(28)12-16)26(33)31-27-23(25(29)32)18-8-3-4-9-22(18)34-27/h5-7,10-13H,3-4,8-9H2,1-2H3,(H2,29,32)(H,31,33)