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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-phenyl-cinchoninamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C25H21N3O2S/c26-23(29)22-17-11-5-7-13-21(17)31-25(22)28-24(30)18-14-20(15-8-2-1-3-9-15)27-19-12-6-4-10-16(18)19/h1-4,6,8-10,12,14H,5,7,11,13H2,(H2,26,29)(H,28,30)