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

Systemtic Name: 2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-6-(methoxymethyl)phenol Openeye Name: 2-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]methyl]-6-(methoxymethyl)phenol CAS Name: 2-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]methyl]-6-(methoxymethyl)phenol IUPAC Name: 2-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]methyl]-6-(methoxymethyl)phenol Traditional Name: 2-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamino]methyl]-6-(methoxymethyl)phenol Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=C(C(=CC=C4)COC)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=C(C(=CC=C4)COC)O)C

InChI

InChI=1S/C26H30N2O3S/c1-18-12-13-24-25(19(18)2)28(22-10-4-5-11-23(22)32(24)30)15-7-14-27-16-20-8-6-9-21(17-31-3)26(20)29/h4-6,8-13,27,29H,7,14-17H2,1-3H3