N-(5-chloranyl-2-morpholin-4-yl-phenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(5-chloranyl-2-morpholin-4-yl-phenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-(5-chloro-2-morpholino-phenyl)-3-(methylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[5-chloro-2-(4-morpholinyl)phenyl]-3-[(methylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-(5-chloro-2-morpholin-4-ylphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-(5-chloro-2-morpholino-phenyl)-3-[(methylthio)methyl]coumarilamide Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4

InChI

InChI=1S/C21H21ClN2O3S/c1-28-13-16-15-4-2-3-5-19(15)27-20(16)21(25)23-17-12-14(22)6-7-18(17)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,23,25)