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

Systemtic Name: 3-azanyl-N-(3-chloranyl-2-methyl-phenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(3-chloro-2-methyl-phenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(3-chloro-2-methylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide IUPAC Name: 3-amino-N-(3-chloro-2-methylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(3-chloro-2-methyl-phenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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(=CC=C4)Cl)C)N

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3OS/c1-3-12-7-8-17-13(9-12)10-14-18(23)19(27-21(14)25-17)20(26)24-16-6-4-5-15(22)11(16)2/h4-6,10,12H,3,7-9,23H2,1-2H3,(H,24,26)