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

Systemtic Name: 3-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-[(2-hydroxyphenyl)methyl]amino]propane-1,2-diol Openeye Name: 3-[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl-[(2-hydroxyphenyl)methyl]amino]propane-1,2-diol CAS Name: 3-[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl-[(2-hydroxyphenyl)methyl]amino]propane-1,2-diol IUPAC Name: 3-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl-[(2-hydroxyphenyl)methyl]amino]propane-1,2-diol Traditional Name: 3-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl-salicyl-amino]propane-1,2-diol 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(CC4=CC=CC=C4O)CC(CO)O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4S/c1-19-12-13-26-27(20(19)2)29(23-9-4-6-11-25(23)34(26)33)15-7-14-28(17-22(31)18-30)16-21-8-3-5-10-24(21)32/h3-6,8-13,22,30-32H,7,14-18H2,1-2H3