2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-(2-octoxyethyl)amino]methyl]phenol

Systemtic Name: 2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-(2-octoxyethyl)amino]methyl]phenol Openeye Name: 2-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl-(2-octoxyethyl)amino]methyl]phenol CAS Name: 2-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl-(2-octoxyethyl)amino]methyl]phenol IUPAC Name: 2-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl-(2-octoxyethyl)amino]methyl]phenol Traditional Name: 2-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl-(2-octoxyethyl)amino]methyl]phenol Formula: C34H46N2O3S MolecularWeight: 562.80564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCCN(CCCN1C2=CC=CC=C2S(=O)C3=C1C(=C(C=C3)C)C)CC4=CC=CC=C4O

Isomeric SMILES

CCCCCCCCOCCN(CCCN1C2=CC=CC=C2S(=O)C3=C1C(=C(C=C3)C)C)CC4=CC=CC=C4O

InChI

InChI=1S/C34H46N2O3S/c1-4-5-6-7-8-13-24-39-25-23-35(26-29-15-9-11-17-31(29)37)21-14-22-36-30-16-10-12-18-32(30)40(38)33-20-19-27(2)28(3)34(33)36/h9-12,15-20,37H,4-8,13-14,21-26H2,1-3H3