N-(4-morpholin-4-ylphenyl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(4-morpholinophenyl)benzofuran-2-carboxamide CAS Name: N-[4-(4-morpholinyl)phenyl]-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(4-morpholinophenyl)coumarilamide Formula: C27H26N2O3S MolecularWeight: 458.57194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O3S/c30-27(28-21-10-12-22(13-11-21)29-14-16-31-17-15-29)26-24(23-8-4-5-9-25(23)32-26)19-33-18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,28,30)