2-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-[[2-[(methylsulfanylperoxyamino)methyl]phenyl]methyl]ethanamine

Systemtic Name: 2-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-[[2-[(methylsulfanylperoxyamino)methyl]phenyl]methyl]ethanamine Openeye Name: 2-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)-N-[[2-[(methylsulfanylperoxyamino)methyl]phenyl]methyl]ethanamine CAS Name: methanesulfenic acid [[2-[[2-(1,2-dimethyl-5-oxo-10-phenothiazinyl)ethylamino]methyl]phenyl]methylamino]oxy ester IUPAC Name: 2-(1,2-dimethyl-5-oxophenothiazin-10-yl)-N-[[2-[(methylsulfanylperoxyamino)methyl]phenyl]methyl]ethanamine Traditional Name: 2-(5-keto-1,2-dimethyl-phenothiazin-10-yl)ethyl-[2-[[(methylthio)peroxyamino]methyl]benzyl]amine Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCNCC4=CC=CC=C4CNOOSC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCNCC4=CC=CC=C4CNOOSC)C

InChI

InChI=1S/C25H29N3O3S2/c1-18-12-13-24-25(19(18)2)28(22-10-6-7-11-23(22)33(24)29)15-14-26-16-20-8-4-5-9-21(20)17-27-30-31-32-3/h4-13,26-27H,14-17H2,1-3H3