5,5-dimethyl-2-[(10-methylphenothiazin-3-yl)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[(10-methylphenothiazin-3-yl)methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(10-methylphenothiazin-3-yl)methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(10-methyl-3-phenothiazinyl)methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(10-methylphenothiazin-3-yl)methylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[(10-methylphenothiazin-3-yl)methylene]cyclohexane-1,3-quinone Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CC2=CC3=C(C=C2)N(C4=CC=CC=C4S3)C)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CC2=CC3=C(C=C2)N(C4=CC=CC=C4S3)C)C(=O)C1)C

InChI

InChI=1S/C22H21NO2S/c1-22(2)12-18(24)15(19(25)13-22)10-14-8-9-17-21(11-14)26-20-7-5-4-6-16(20)23(17)3/h4-11H,12-13H2,1-3H3