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

Systemtic Name: 2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-methyl-amino]methyl]-4-methyl-benzene-1,3-diol Openeye Name: 2-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl-methyl-amino]methyl]-4-methyl-benzene-1,3-diol CAS Name: 2-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl-methylamino]methyl]-4-methylbenzene-1,3-diol IUPAC Name: 2-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl-methylamino]methyl]-4-methylbenzene-1,3-diol Traditional Name: 2-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl-methyl-amino]methyl]-4-methyl-resorcinol Formula: C26H30N2O3S MolecularWeight: 450.593

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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(=C4O)C)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN(C)CC4=C(C=CC(=C4O)C)O)C

InChI

InChI=1S/C26H30N2O3S/c1-17-11-13-24-25(19(17)3)28(21-8-5-6-9-23(21)32(24)31)15-7-14-27(4)16-20-22(29)12-10-18(2)26(20)30/h5-6,8-13,29-30H,7,14-16H2,1-4H3