3-azanyl-N-(3-bromophenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-(3-bromophenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(3-bromophenyl)-4-(2-thienyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(3-bromophenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide IUPAC Name: 3-amino-N-(3-bromophenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(3-bromophenyl)-4-(2-thienyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Formula: C22H18BrN3OS2 MolecularWeight: 484.43182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C3C(=C(SC3=N2)C(=O)NC4=CC(=CC=C4)Br)N)C5=CC=CS5

Isomeric SMILES

C1CCC2=C(C1)C(=C3C(=C(SC3=N2)C(=O)NC4=CC(=CC=C4)Br)N)C5=CC=CS5

InChI

InChI=1S/C22H18BrN3OS2/c23-12-5-3-6-13(11-12)25-21(27)20-19(24)18-17(16-9-4-10-28-16)14-7-1-2-8-15(14)26-22(18)29-20/h3-6,9-11H,1-2,7-8,24H2,(H,25,27)