2,3-dimethoxy-5-methyl-6-[[3-(4-oxidanylidene-4-thiomorpholin-4-yl-butyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3-dimethoxy-5-methyl-6-[[3-(4-oxidanylidene-4-thiomorpholin-4-yl-butyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethoxy-5-methyl-6-[[3-(4-oxo-4-thiomorpholino-butyl)phenyl]methyl]-1,4-benzoquinone CAS Name: 2,3-dimethoxy-5-methyl-6-[[3-(4-oxo-4-thiomorpholin-4-ylbutyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-methyl-6-[[3-(4-oxo-4-thiomorpholin-4-ylbutyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[3-(4-keto-4-thiomorpholino-butyl)benzyl]-5,6-dimethoxy-3-methyl-p-benzoquinone Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC(=CC=C2)CCCC(=O)N3CCSCC3

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC(=CC=C2)CCCC(=O)N3CCSCC3

InChI

InChI=1S/C24H29NO5S/c1-16-19(22(28)24(30-3)23(29-2)21(16)27)15-18-8-4-6-17(14-18)7-5-9-20(26)25-10-12-31-13-11-25/h4,6,8,14H,5,7,9-13,15H2,1-3H3