4-[[2-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)ethylamino]methyl]-2,6-dimethyl-phenol

Systemtic Name: 4-[[2-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)ethylamino]methyl]-2,6-dimethyl-phenol Openeye Name: 4-[[2-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)ethylamino]methyl]-2,6-dimethyl-phenol CAS Name: 4-[[2-(1,2-dimethyl-5-oxo-10-phenothiazinyl)ethylamino]methyl]-2,6-dimethylphenol IUPAC Name: 4-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]-2,6-dimethylphenol Traditional Name: 4-[[2-(5-keto-1,2-dimethyl-phenothiazin-10-yl)ethylamino]methyl]-2,6-dimethyl-phenol Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCNCC4=CC(=C(C(=C4)C)O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCNCC4=CC(=C(C(=C4)C)O)C)C

InChI

InChI=1S/C25H28N2O2S/c1-16-9-10-23-24(19(16)4)27(21-7-5-6-8-22(21)30(23)29)12-11-26-15-20-13-17(2)25(28)18(3)14-20/h5-10,13-14,26,28H,11-12,15H2,1-4H3