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

Systemtic Name: 2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-4-methoxy-benzene-1,3-diol Openeye Name: 2-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]methyl]-4-methoxy-benzene-1,3-diol CAS Name: 2-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]methyl]-4-methoxybenzene-1,3-diol IUPAC Name: 2-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]methyl]-4-methoxybenzene-1,3-diol Traditional Name: 2-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamino]methyl]-4-methoxy-resorcinol Formula: C25H28N2O4S MolecularWeight: 452.56582

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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(=C4O)OC)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=C(C=CC(=C4O)OC)O)C

InChI

InChI=1S/C25H28N2O4S/c1-16-9-12-23-24(17(16)2)27(19-7-4-5-8-22(19)32(23)30)14-6-13-26-15-18-20(28)10-11-21(31-3)25(18)29/h4-5,7-12,26,28-29H,6,13-15H2,1-3H3