6-[(4-bromanyl-2-methyl-phenyl)amino]-7-fluoranyl-3-(4-thiomorpholin-4-ylbutyl)benzimidazole-5-carboxylic acid

Systemtic Name: 6-[(4-bromanyl-2-methyl-phenyl)amino]-7-fluoranyl-3-(4-thiomorpholin-4-ylbutyl)benzimidazole-5-carboxylic acid Openeye Name: 6-(4-bromo-2-methyl-anilino)-7-fluoro-3-(4-thiomorpholinobutyl)benzimidazole-5-carboxylic acid CAS Name: 6-(4-bromo-2-methylanilino)-7-fluoro-3-(4-thiomorpholin-4-ylbutyl)-5-benzimidazolecarboxylic acid IUPAC Name: 6-(4-bromo-2-methylanilino)-7-fluoro-3-(4-thiomorpholin-4-ylbutyl)benzimidazole-5-carboxylic acid Traditional Name: 6-(4-bromo-2-methyl-anilino)-7-fluoro-3-(4-thiomorpholinobutyl)benzimidazole-5-carboxylic acid Formula: C23H26BrFN4O2S MolecularWeight: 521.445543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)O)N(C=N3)CCCCN4CCSCC4)F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)O)N(C=N3)CCCCN4CCSCC4)F

InChI

InChI=1S/C23H26BrFN4O2S/c1-15-12-16(24)4-5-18(15)27-21-17(23(30)31)13-19-22(20(21)25)26-14-29(19)7-3-2-6-28-8-10-32-11-9-28/h4-5,12-14,27H,2-3,6-11H2,1H3,(H,30,31)