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

Systemtic Name: 3-azanyl-6-tert-butyl-N-(4-chloranyl-3-nitro-phenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-6-tert-butyl-N-(4-chloro-3-nitro-phenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-6-tert-butyl-N-(4-chloro-3-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide IUPAC Name: 3-amino-6-tert-butyl-N-(4-chloro-3-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-6-tert-butyl-N-(4-chloro-3-nitro-phenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-])N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C22H23ClN4O3S/c1-22(2,3)12-4-7-16-11(8-12)9-14-18(24)19(31-21(14)26-16)20(28)25-13-5-6-15(23)17(10-13)27(29)30/h5-6,9-10,12H,4,7-8,24H2,1-3H3,(H,25,28)