2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-4-methoxy-6-methyl-benzene-1,3-diol

Systemtic Name: 2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-4-methoxy-6-methyl-benzene-1,3-diol Openeye Name: 2-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]methyl]-4-methoxy-6-methyl-benzene-1,3-diol CAS Name: 2-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]methyl]-4-methoxy-6-methylbenzene-1,3-diol IUPAC Name: 2-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]methyl]-4-methoxy-6-methylbenzene-1,3-diol Traditional Name: 2-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamino]methyl]-4-methoxy-6-methyl-resorcinol Formula: C26H30N2O4S MolecularWeight: 466.5924

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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)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4S/c1-16-10-11-23-24(18(16)3)28(20-8-5-6-9-22(20)33(23)31)13-7-12-27-15-19-25(29)17(2)14-21(32-4)26(19)30/h5-6,8-11,14,27,29-30H,7,12-13,15H2,1-4H3