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

Systemtic Name: 4-azanyl-2-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[3-(cyclohexylsulfanylmethyl)benzofuran-2-carbonyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[[3-[(cyclohexylthio)methyl]-2-benzofuranyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbonyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[3-[(cyclohexylthio)methyl]benzofuran-2-carbonyl]isoindoline-1,3-quinone Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)N4C(=O)C5=C(C4=O)C(=CC=C5)N

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)N4C(=O)C5=C(C4=O)C(=CC=C5)N

InChI

InChI=1S/C24H22N2O4S/c25-18-11-6-10-16-20(18)23(28)26(22(16)27)24(29)21-17(13-31-14-7-2-1-3-8-14)15-9-4-5-12-19(15)30-21/h4-6,9-12,14H,1-3,7-8,13,25H2