7-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)heptanenitrile

Systemtic Name: 7-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)heptanenitrile Openeye Name: 2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)-7-(1,3-dioxoisoindolin-2-yl)heptanenitrile CAS Name: 2-(cyclohexylthio)-2-(3,4-dimethoxyphenyl)-7-(1,3-dioxo-2-isoindolyl)heptanenitrile IUPAC Name: 2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)-7-(1,3-dioxoisoindol-2-yl)heptanenitrile Traditional Name: 2-(cyclohexylthio)-2-(3,4-dimethoxyphenyl)-7-phthalimido-enanthonitrile Formula: C29H34N2O4S MolecularWeight: 506.65626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCCCN2C(=O)C3=CC=CC=C3C2=O)(C#N)SC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCCCN2C(=O)C3=CC=CC=C3C2=O)(C#N)SC4CCCCC4)OC

InChI

InChI=1S/C29H34N2O4S/c1-34-25-16-15-21(19-26(25)35-2)29(20-30,36-22-11-5-3-6-12-22)17-9-4-10-18-31-27(32)23-13-7-8-14-24(23)28(31)33/h7-8,13-16,19,22H,3-6,9-12,17-18H2,1-2H3