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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3OS/c1-3-12-5-7-16-13(9-12)10-14-18(23)19(27-21(14)25-16)20(26)24-17-6-4-11(2)8-15(17)22/h4,6,8,10,12H,3,5,7,9,23H2,1-2H3,(H,24,26)