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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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