3,5-dimethyl-2-(4-oxidanylidene-1-phenyl-4-thiomorpholin-4-yl-butyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 3,5-dimethyl-2-(4-oxidanylidene-1-phenyl-4-thiomorpholin-4-yl-butyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 3,5-dimethyl-2-(4-oxo-1-phenyl-4-thiomorpholino-butyl)-1,4-benzoquinone CAS Name: 3,5-dimethyl-2-(4-oxo-1-phenyl-4-thiomorpholin-4-ylbutyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 3,5-dimethyl-2-(4-oxo-1-phenyl-4-thiomorpholin-4-ylbutyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(4-keto-1-phenyl-4-thiomorpholino-butyl)-3,5-dimethyl-p-benzoquinone Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(C1=O)C)C(CCC(=O)N2CCSCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)C(=C(C1=O)C)C(CCC(=O)N2CCSCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO3S/c1-15-14-19(24)21(16(2)22(15)26)18(17-6-4-3-5-7-17)8-9-20(25)23-10-12-27-13-11-23/h3-7,14,18H,8-13H2,1-2H3