2-[[3-(8-chloranyl-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-methyl-amino]methyl]phenol

Systemtic Name: 2-[[3-(8-chloranyl-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-methyl-amino]methyl]phenol Openeye Name: 2-[[3-(8-chloro-1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl-methyl-amino]methyl]phenol CAS Name: 2-[[3-(8-chloro-1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl-methylamino]methyl]phenol IUPAC Name: 2-[[3-(8-chloro-1,2-dimethyl-5-oxophenothiazin-10-yl)propyl-methylamino]methyl]phenol Traditional Name: 2-[[3-(8-chloro-5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl-methyl-amino]methyl]phenol Formula: C25H27ClN2O2S MolecularWeight: 455.01208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCN(C)CC4=CC=CC=C4O)C=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCN(C)CC4=CC=CC=C4O)C=C(C=C3)Cl)C

InChI

InChI=1S/C25H27ClN2O2S/c1-17-9-11-24-25(18(17)2)28(21-15-20(26)10-12-23(21)31(24)30)14-6-13-27(3)16-19-7-4-5-8-22(19)29/h4-5,7-12,15,29H,6,13-14,16H2,1-3H3