3-[1,2-dimethyl-6-(methylperoxymethyl)-5-oxidanylidene-phenothiazin-10-yl]-N-(phenylmethyl)propan-1-amine

Systemtic Name: 3-[1,2-dimethyl-6-(methylperoxymethyl)-5-oxidanylidene-phenothiazin-10-yl]-N-(phenylmethyl)propan-1-amine Openeye Name: N-benzyl-3-[1,2-dimethyl-6-(methylperoxymethyl)-5-oxo-phenothiazin-10-yl]propan-1-amine CAS Name: 3-[1,2-dimethyl-6-(methyldioxymethyl)-5-oxo-10-phenothiazinyl]-N-(phenylmethyl)-1-propanamine IUPAC Name: N-benzyl-3-[1,2-dimethyl-6-(methylperoxymethyl)-5-oxophenothiazin-10-yl]propan-1-amine Traditional Name: benzyl-[3-[5-keto-1,2-dimethyl-6-(methylperoxymethyl)phenothiazin-10-yl]propyl]amine Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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