3-(cyclohexylsulfanylmethyl)-N-[2-(4-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-N-[2-(4-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-[2-(4-methylphenoxy)phenyl]benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-[2-(4-methylphenoxy)phenyl]-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-[2-(4-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-[2-(4-methylphenoxy)phenyl]coumarilamide Formula: C29H29NO3S MolecularWeight: 471.61046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

InChI

InChI=1S/C29H29NO3S/c1-20-15-17-21(18-16-20)32-27-14-8-6-12-25(27)30-29(31)28-24(19-34-22-9-3-2-4-10-22)23-11-5-7-13-26(23)33-28/h5-8,11-18,22H,2-4,9-10,19H2,1H3,(H,30,31)