3-(cyclohexylsulfanylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-[2-(4-methoxyphenyl)ethyl]benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-[2-(4-methoxyphenyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-[2-(4-methoxyphenyl)ethyl]coumarilamide Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C25H29NO3S/c1-28-19-13-11-18(12-14-19)15-16-26-25(27)24-22(17-30-20-7-3-2-4-8-20)21-9-5-6-10-23(21)29-24/h5-6,9-14,20H,2-4,7-8,15-17H2,1H3,(H,26,27)