4-azanyl-2-[[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]carbonyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]carbonyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[3-(benzylsulfanylmethyl)benzofuran-2-carbonyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[oxo-[3-[(phenylmethylthio)methyl]-2-benzofuranyl]methyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[3-(benzylsulfanylmethyl)-1-benzofuran-2-carbonyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[3-[(benzylthio)methyl]benzofuran-2-carbonyl]isoindoline-1,3-quinone Formula: C25H18N2O4S MolecularWeight: 442.48642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)N4C(=O)C5=C(C4=O)C(=CC=C5)N

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)N4C(=O)C5=C(C4=O)C(=CC=C5)N

InChI

InChI=1S/C25H18N2O4S/c26-19-11-6-10-17-21(19)24(29)27(23(17)28)25(30)22-18(16-9-4-5-12-20(16)31-22)14-32-13-15-7-2-1-3-8-15/h1-12H,13-14,26H2