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

Systemtic Name: 3-azanyl-N-(3-chloranyl-4-methyl-phenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(3-chloro-4-methyl-phenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(3-chloro-4-methylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide IUPAC Name: 3-amino-N-(3-chloro-4-methylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(3-chloro-4-methyl-phenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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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)C)Cl)N

Isomeric SMILES

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

InChI

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