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

Systemtic Name: N-[2-oxidanylidene-2-(propylamino)ethyl]-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-[2-oxo-2-(propylamino)ethyl]benzofuran-2-carboxamide CAS Name: N-[2-oxo-2-(propylamino)ethyl]-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-[2-oxo-2-(propylamino)ethyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-[2-keto-2-(propylamino)ethyl]coumarilamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-2-12-23-20(25)13-24-22(26)21-18(17-10-6-7-11-19(17)27-21)15-28-14-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,23,25)(H,24,26)