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

Systemtic Name: 2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-methyl-amino]methyl]benzene-1,4-diol Openeye Name: 2-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl-methyl-amino]methyl]benzene-1,4-diol CAS Name: 2-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl-methylamino]methyl]benzene-1,4-diol IUPAC Name: 2-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl-methylamino]methyl]benzene-1,4-diol Traditional Name: 2-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl-methyl-amino]methyl]hydroquinone Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN(C)CC4=C(C=CC(=C4)O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN(C)CC4=C(C=CC(=C4)O)O)C

InChI

InChI=1S/C25H28N2O3S/c1-17-9-12-24-25(18(17)2)27(21-7-4-5-8-23(21)31(24)30)14-6-13-26(3)16-19-15-20(28)10-11-22(19)29/h4-5,7-12,15,28-29H,6,13-14,16H2,1-3H3