N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[1-(benzylsulfanylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]benzofuran-2-carboxamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethylthio)propan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[3-benzylsulfanyl-1-(cyanomethylamino)-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-[(benzylthio)methyl]-2-(cyanomethylamino)-2-keto-ethyl]coumarilamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)NCC#N)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)NCC#N)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H19N3O3S/c22-10-11-23-20(25)17(14-28-13-15-6-2-1-3-7-15)24-21(26)19-12-16-8-4-5-9-18(16)27-19/h1-9,12,17H,11,13-14H2,(H,23,25)(H,24,26)