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

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

Isomeric SMILES

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

InChI

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