3-[bis(phenylsulfanyl)methyl]-2-[(3,4-dimethoxyphenyl)methyl]-3H-isoindol-1-one

Systemtic Name: 3-[bis(phenylsulfanyl)methyl]-2-[(3,4-dimethoxyphenyl)methyl]-3H-isoindol-1-one Openeye Name: 3-[bis(phenylsulfanyl)methyl]-2-[(3,4-dimethoxyphenyl)methyl]isoindolin-1-one CAS Name: 3-[bis(phenylthio)methyl]-2-[(3,4-dimethoxyphenyl)methyl]-3H-isoindol-1-one IUPAC Name: 3-[bis(phenylsulfanyl)methyl]-2-[(3,4-dimethoxyphenyl)methyl]-3H-isoindol-1-one Traditional Name: 3-[bis(phenylthio)methyl]-2-veratryl-isoindolin-1-one Formula: C30H27NO3S2 MolecularWeight: 513.67028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(SC4=CC=CC=C4)SC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(SC4=CC=CC=C4)SC5=CC=CC=C5)OC

InChI

InChI=1S/C30H27NO3S2/c1-33-26-18-17-21(19-27(26)34-2)20-31-28(24-15-9-10-16-25(24)29(31)32)30(35-22-11-5-3-6-12-22)36-23-13-7-4-8-14-23/h3-19,28,30H,20H2,1-2H3