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

Systemtic Name: 2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-(2-methoxyethyl)amino]methyl]phenol Openeye Name: 2-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl-(2-methoxyethyl)amino]methyl]phenol CAS Name: 2-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl-(2-methoxyethyl)amino]methyl]phenol IUPAC Name: 2-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl-(2-methoxyethyl)amino]methyl]phenol Traditional Name: 2-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl-(2-methoxyethyl)amino]methyl]phenol Formula: C27H32N2O3S MolecularWeight: 464.61958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O3S/c1-20-13-14-26-27(21(20)2)29(23-10-5-7-12-25(23)33(26)31)16-8-15-28(17-18-32-3)19-22-9-4-6-11-24(22)30/h4-7,9-14,30H,8,15-19H2,1-3H3