3-[[4-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)butylamino]methyl]phenol

Systemtic Name: 3-[[4-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)butylamino]methyl]phenol Openeye Name: 3-[[4-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)butylamino]methyl]phenol CAS Name: 3-[[4-(1,2-dimethyl-5-oxo-10-phenothiazinyl)butylamino]methyl]phenol IUPAC Name: 3-[[4-(1,2-dimethyl-5-oxophenothiazin-10-yl)butylamino]methyl]phenol Traditional Name: 3-[[4-(5-keto-1,2-dimethyl-phenothiazin-10-yl)butylamino]methyl]phenol Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O2S/c1-18-12-13-24-25(19(18)2)27(22-10-3-4-11-23(22)30(24)29)15-6-5-14-26-17-20-8-7-9-21(28)16-20/h3-4,7-13,16,26,28H,5-6,14-15,17H2,1-2H3