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

Systemtic Name: 2-(3-bromophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methylquinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-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=C(C=C4)C)C5=CC(=CC=C5)Br

Isomeric SMILES

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

InChI

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