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

Systemtic Name: 2-chloranyl-6-[[4-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)butylamino]methyl]phenol Openeye Name: 2-chloro-6-[[4-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)butylamino]methyl]phenol CAS Name: 2-chloro-6-[[4-(1,2-dimethyl-5-oxo-10-phenothiazinyl)butylamino]methyl]phenol IUPAC Name: 2-chloro-6-[[4-(1,2-dimethyl-5-oxophenothiazin-10-yl)butylamino]methyl]phenol Traditional Name: 2-chloro-6-[[4-(5-keto-1,2-dimethyl-phenothiazin-10-yl)butylamino]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=CC=CC=C3N2CCCCNCC4=C(C(=CC=C4)Cl)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCCNCC4=C(C(=CC=C4)Cl)O)C

InChI

InChI=1S/C25H27ClN2O2S/c1-17-12-13-23-24(18(17)2)28(21-10-3-4-11-22(21)31(23)30)15-6-5-14-27-16-19-8-7-9-20(26)25(19)29/h3-4,7-13,27,29H,5-6,14-16H2,1-2H3