N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-[2-(dimethylamino)-2-oxo-ethyl]benzofuran-2-carboxamide CAS Name: N-[2-(dimethylamino)-2-oxoethyl]-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-[2-(dimethylamino)-2-keto-ethyl]coumarilamide Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)CNC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-23(2)19(24)12-22-21(25)20-17(16-10-6-7-11-18(16)26-20)14-27-13-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,22,25)