2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]benzene-1,4-diol

Systemtic Name: 2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]benzene-1,4-diol Openeye Name: 2-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]methyl]benzene-1,4-diol CAS Name: 2-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]methyl]benzene-1,4-diol IUPAC Name: 2-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]methyl]benzene-1,4-diol Traditional Name: 2-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamino]methyl]hydroquinone Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=C(C=CC(=C4)O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=C(C=CC(=C4)O)O)C

InChI

InChI=1S/C24H26N2O3S/c1-16-8-11-23-24(17(16)2)26(20-6-3-4-7-22(20)30(23)29)13-5-12-25-15-18-14-19(27)9-10-21(18)28/h3-4,6-11,14,25,27-28H,5,12-13,15H2,1-2H3