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

Systemtic Name: 3-azanyl-N-(4-bromophenyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(4-bromophenyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(4-bromophenyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide IUPAC Name: 3-amino-N-(4-bromophenyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(4-bromophenyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Formula: C22H24BrN3OS MolecularWeight: 458.41446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3OS/c1-22(2,3)13-4-9-17-12(10-13)11-16-18(24)19(28-21(16)26-17)20(27)25-15-7-5-14(23)6-8-15/h5-8,11,13H,4,9-10,24H2,1-3H3,(H,25,27)