N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-phenyl-cinchoninamide Formula: C26H23N3O2S MolecularWeight: 441.54472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O2S/c1-15-11-12-18-22(13-15)32-26(23(18)24(27)30)29-25(31)19-14-21(16-7-3-2-4-8-16)28-20-10-6-5-9-17(19)20/h2-10,14-15H,11-13H2,1H3,(H2,27,30)(H,29,31)