3-azanyl-N-(4-bromanyl-3-methyl-phenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-(4-bromanyl-3-methyl-phenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(4-bromo-3-methyl-phenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(4-bromo-3-methylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide IUPAC Name: 3-amino-N-(4-bromo-3-methylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(4-bromo-3-methyl-phenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Formula: C21H22BrN3OS MolecularWeight: 444.38788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NC4=CC(=C(C=C4)Br)C)N

Isomeric SMILES

CCC1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NC4=CC(=C(C=C4)Br)C)N

InChI

InChI=1S/C21H22BrN3OS/c1-3-12-4-7-17-13(9-12)10-15-18(23)19(27-21(15)25-17)20(26)24-14-5-6-16(22)11(2)8-14/h5-6,8,10,12H,3-4,7,9,23H2,1-2H3,(H,24,26)