2-cyclohexyl-N-(2-methylsulfanylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-cyclohexyl-N-(2-methylsulfanylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-cyclohexyl-N-(2-methylsulfanylphenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-cyclohexyl-N-[2-(methylthio)phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-cyclohexyl-N-(2-methylsulfanylphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-cyclohexyl-1,3-diketo-N-[2-(methylthio)phenyl]isoindoline-5-carboxamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C22H22N2O3S/c1-28-19-10-6-5-9-18(19)23-20(25)14-11-12-16-17(13-14)22(27)24(21(16)26)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,25)