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

Systemtic Name: 2-(3-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethylquinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-cinchoninamide Formula: C27H22BrN3OS MolecularWeight: 516.45208

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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#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#N)C

InChI

InChI=1S/C27H22BrN3OS/c1-15-10-16(2)25-20(11-15)21(13-23(30-25)17-6-5-7-18(28)12-17)26(32)31-27-22(14-29)19-8-3-4-9-24(19)33-27/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,31,32)