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

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-[2-(cyclopropylamino)-2-oxo-ethyl]benzofuran-2-carboxamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-[2-(cyclopropylamino)-2-keto-ethyl]coumarilamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)CNC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3S/c25-20(24-16-10-11-16)12-23-22(26)21-18(17-8-4-5-9-19(17)27-21)14-28-13-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,26)(H,24,25)