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

Systemtic Name: 3-azanyl-6-tert-butyl-N-(4-iodanyl-2-methyl-phenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-6-tert-butyl-N-(4-iodo-2-methyl-phenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-6-tert-butyl-N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide IUPAC Name: 3-amino-6-tert-butyl-N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-6-tert-butyl-N-(4-iodo-2-methyl-phenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Formula: C23H26IN3OS MolecularWeight: 519.44151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)C2=C(C3=CC4=C(CCC(C4)C(C)(C)C)N=C3S2)N

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)C2=C(C3=CC4=C(CCC(C4)C(C)(C)C)N=C3S2)N

InChI

InChI=1S/C23H26IN3OS/c1-12-9-15(24)6-8-17(12)26-21(28)20-19(25)16-11-13-10-14(23(2,3)4)5-7-18(13)27-22(16)29-20/h6,8-9,11,14H,5,7,10,25H2,1-4H3,(H,26,28)