6-[(4-bromanyl-2-methyl-phenyl)amino]-N-(cyclopropylmethoxy)-7-fluoranyl-3-(4-thiomorpholin-4-ylbutyl)benzimidazole-5-carboxamide

Systemtic Name: 6-[(4-bromanyl-2-methyl-phenyl)amino]-N-(cyclopropylmethoxy)-7-fluoranyl-3-(4-thiomorpholin-4-ylbutyl)benzimidazole-5-carboxamide Openeye Name: 6-(4-bromo-2-methyl-anilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-thiomorpholinobutyl)benzimidazole-5-carboxamide CAS Name: 6-(4-bromo-2-methylanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-thiomorpholin-4-ylbutyl)-5-benzimidazolecarboxamide IUPAC Name: 6-(4-bromo-2-methylanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-thiomorpholin-4-ylbutyl)benzimidazole-5-carboxamide Traditional Name: 6-(4-bromo-2-methyl-anilino)-N-(cyclopropylmethoxy)-7-fluoro-3-(4-thiomorpholinobutyl)benzimidazole-5-carboxamide Formula: C27H33BrFN5O2S MolecularWeight: 590.550623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)NOCC4CC4)N(C=N3)CCCCN5CCSCC5)F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)NOCC4CC4)N(C=N3)CCCCN5CCSCC5)F

InChI

InChI=1S/C27H33BrFN5O2S/c1-18-14-20(28)6-7-22(18)31-25-21(27(35)32-36-16-19-4-5-19)15-23-26(24(25)29)30-17-34(23)9-3-2-8-33-10-12-37-13-11-33/h6-7,14-15,17,19,31H,2-5,8-13,16H2,1H3,(H,32,35)