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

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-(4-morpholinophenyl)benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-[4-(4-morpholinyl)phenyl]-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-(4-morpholinophenyl)coumarilamide Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C26H30N2O3S/c29-26(27-19-10-12-20(13-11-19)28-14-16-30-17-15-28)25-23(18-32-21-6-2-1-3-7-21)22-8-4-5-9-24(22)31-25/h4-5,8-13,21H,1-3,6-7,14-18H2,(H,27,29)