2-[[4-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)butyl-methyl-amino]methyl]phenol

Systemtic Name: 2-[[4-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)butyl-methyl-amino]methyl]phenol Openeye Name: 2-[[4-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)butyl-methyl-amino]methyl]phenol CAS Name: 2-[[4-(1,2-dimethyl-5-oxo-10-phenothiazinyl)butyl-methylamino]methyl]phenol IUPAC Name: 2-[[4-(1,2-dimethyl-5-oxophenothiazin-10-yl)butyl-methylamino]methyl]phenol Traditional Name: 2-[[4-(5-keto-1,2-dimethyl-phenothiazin-10-yl)butyl-methyl-amino]methyl]phenol Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCCN(C)CC4=CC=CC=C4O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCCN(C)CC4=CC=CC=C4O)C

InChI

InChI=1S/C26H30N2O2S/c1-19-14-15-25-26(20(19)2)28(22-11-5-7-13-24(22)31(25)30)17-9-8-16-27(3)18-21-10-4-6-12-23(21)29/h4-7,10-15,29H,8-9,16-18H2,1-3H3