10-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-3-(phenylmethylsulfanyl)acridin-9-one

Systemtic Name: 10-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-3-(phenylmethylsulfanyl)acridin-9-one Openeye Name: 3-benzylsulfanyl-10-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]acridin-9-one CAS Name: 10-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-(phenylmethylthio)-9-acridinone IUPAC Name: 3-benzylsulfanyl-10-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]acridin-9-one Traditional Name: 3-(benzylthio)-10-(4-hydroxy-3,5-dimethoxy-benzyl)acridin-9-one Formula: C29H25NO4S MolecularWeight: 483.5781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2C3=CC=CC=C3C(=O)C4=C2C=C(C=C4)SCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2C3=CC=CC=C3C(=O)C4=C2C=C(C=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C29H25NO4S/c1-33-26-14-20(15-27(34-2)29(26)32)17-30-24-11-7-6-10-22(24)28(31)23-13-12-21(16-25(23)30)35-18-19-8-4-3-5-9-19/h3-16,32H,17-18H2,1-2H3