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

Systemtic Name: 3-[1,2-dimethyl-6-(2-methylperoxyethyl)-5-oxidanylidene-phenothiazin-10-yl]-N-(phenylmethyl)propan-1-amine Openeye Name: N-benzyl-3-[1,2-dimethyl-6-(2-methylperoxyethyl)-5-oxo-phenothiazin-10-yl]propan-1-amine CAS Name: 3-[1,2-dimethyl-6-(2-methyldioxyethyl)-5-oxo-10-phenothiazinyl]-N-(phenylmethyl)-1-propanamine IUPAC Name: N-benzyl-3-[1,2-dimethyl-6-(2-methylperoxyethyl)-5-oxophenothiazin-10-yl]propan-1-amine Traditional Name: benzyl-[3-[5-keto-1,2-dimethyl-6-(2-methylperoxyethyl)phenothiazin-10-yl]propyl]amine Formula: C27H32N2O3S MolecularWeight: 464.61958

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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)CCOOC)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O3S/c1-20-13-14-25-26(21(20)2)29(17-8-16-28-19-22-9-5-4-6-10-22)24-12-7-11-23(15-18-32-31-3)27(24)33(25)30/h4-7,9-14,28H,8,15-19H2,1-3H3