4-bromanyl-2-chloranyl-6-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]phenol

Systemtic Name: 4-bromanyl-2-chloranyl-6-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]phenol Openeye Name: 4-bromo-2-chloro-6-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]methyl]phenol CAS Name: 4-bromo-2-chloro-6-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]methyl]phenol IUPAC Name: 4-bromo-2-chloro-6-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]methyl]phenol Traditional Name: 4-bromo-2-chloro-6-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamino]methyl]phenol Formula: C24H24BrClN2O2S MolecularWeight: 519.88156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CC(=CC(=C4O)Cl)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CC(=CC(=C4O)Cl)Br)C

InChI

InChI=1S/C24H24BrClN2O2S/c1-15-8-9-22-23(16(15)2)28(20-6-3-4-7-21(20)31(22)30)11-5-10-27-14-17-12-18(25)13-19(26)24(17)29/h3-4,6-9,12-13,27,29H,5,10-11,14H2,1-2H3