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

Systemtic Name: 8-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide Openeye Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(o-tolyl)quinoline-4-carboxamide CAS Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)-4-quinolinecarboxamide IUPAC Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide Traditional Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(o-tolyl)cinchoninamide Formula: C26H20ClN3OS MolecularWeight: 457.9745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C26H20ClN3OS/c1-15-7-2-3-8-16(15)22-13-19(18-10-6-11-21(27)24(18)29-22)25(31)30-26-20(14-28)17-9-4-5-12-23(17)32-26/h2-3,6-8,10-11,13H,4-5,9,12H2,1H3,(H,30,31)