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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloranyl-2-(2-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(o-tolyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(2-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(2-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(o-tolyl)cinchoninamide Formula: C26H22ClN3O2S MolecularWeight: 475.98978

Click to see the large picture

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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClN3O2S/c1-14-7-2-3-8-15(14)20-13-18(16-10-6-11-19(27)23(16)29-20)25(32)30-26-22(24(28)31)17-9-4-5-12-21(17)33-26/h2-3,6-8,10-11,13H,4-5,9,12H2,1H3,(H2,28,31)(H,30,32)