2-(4-bromophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide

Systemtic Name: 2-(4-bromophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide Openeye Name: 2-(4-bromophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methylquinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-cinchoninamide Formula: C28H24BrN3OS MolecularWeight: 530.47866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=C(C=C5)Br

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H24BrN3OS/c1-3-17-7-12-20-23(15-30)28(34-25(20)13-17)32-27(33)22-14-24(18-8-10-19(29)11-9-18)31-26-16(2)5-4-6-21(22)26/h4-6,8-11,14,17H,3,7,12-13H2,1-2H3,(H,32,33)