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

Systemtic Name: 2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-methyl-amino]methyl]-4-methoxy-6-methyl-benzene-1,3-diol Openeye Name: 2-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl-methyl-amino]methyl]-4-methoxy-6-methyl-benzene-1,3-diol CAS Name: 2-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl-methylamino]methyl]-4-methoxy-6-methylbenzene-1,3-diol IUPAC Name: 2-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl-methylamino]methyl]-4-methoxy-6-methylbenzene-1,3-diol Traditional Name: 2-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl-methyl-amino]methyl]-4-methoxy-6-methyl-resorcinol Formula: C27H32N2O4S MolecularWeight: 480.61898

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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)OC)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4S/c1-17-11-12-24-25(19(17)3)29(21-9-6-7-10-23(21)34(24)32)14-8-13-28(4)16-20-26(30)18(2)15-22(33-5)27(20)31/h6-7,9-12,15,30-31H,8,13-14,16H2,1-5H3