N-[2,4-bis(bromanyl)phenyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[2,4-bis(bromanyl)phenyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-(2,4-dibromophenyl)benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-(2,4-dibromophenyl)-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-(2,4-dibromophenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-(2,4-dibromophenyl)coumarilamide Formula: C22H21Br2NO2S MolecularWeight: 523.28064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)Br)Br

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)Br)Br

InChI

InChI=1S/C22H21Br2NO2S/c23-14-10-11-19(18(24)12-14)25-22(26)21-17(13-28-15-6-2-1-3-7-15)16-8-4-5-9-20(16)27-21/h4-5,8-12,15H,1-3,6-7,13H2,(H,25,26)