N-(4-butan-2-ylphenyl)-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(4-butan-2-ylphenyl)-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-(4-sec-butylphenyl)benzofuran-2-carboxamide CAS Name: N-(4-butan-2-ylphenyl)-3-[(cyclohexylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-(4-butan-2-ylphenyl)-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-(4-sec-butylphenyl)coumarilamide Formula: C26H31NO2S MolecularWeight: 421.59484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C26H31NO2S/c1-3-18(2)19-13-15-20(16-14-19)27-26(28)25-23(17-30-21-9-5-4-6-10-21)22-11-7-8-12-24(22)29-25/h7-8,11-16,18,21H,3-6,9-10,17H2,1-2H3,(H,27,28)