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

Systemtic Name: 3-azanyl-N-(5-chloranyl-2-methyl-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(5-chloro-2-methyl-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(5-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide IUPAC Name: 3-amino-N-(5-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(5-chloro-2-methyl-phenyl)-5-keto-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C3=CC4=C(CC(CC4=O)(C)C)N=C3S2)N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C3=CC4=C(CC(CC4=O)(C)C)N=C3S2)N

InChI

InChI=1S/C21H20ClN3O2S/c1-10-4-5-11(22)6-14(10)24-19(27)18-17(23)13-7-12-15(25-20(13)28-18)8-21(2,3)9-16(12)26/h4-7H,8-9,23H2,1-3H3,(H,24,27)