1,2-dimethyl-10-[3-(4-phenylperoxysulfanylpiperazin-1-yl)propyl]phenothiazine 5-oxide

Systemtic Name: 1,2-dimethyl-10-[3-(4-phenylperoxysulfanylpiperazin-1-yl)propyl]phenothiazine 5-oxide Openeye Name: 1,2-dimethyl-10-[3-(4-phenylperoxysulfanylpiperazin-1-yl)propyl]phenothiazine 5-oxide CAS Name: 4-[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl]-1-piperazinesulfenic acid phenoxy ester IUPAC Name: 1,2-dimethyl-10-[3-(4-phenylperoxysulfanylpiperazin-1-yl)propyl]phenothiazine 5-oxide Traditional Name: 1,2-dimethyl-10-[3-[4-(phenylperoxythio)piperazino]propyl]phenothiazine 5-oxide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN4CCN(CC4)SOOC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN4CCN(CC4)SOOC5=CC=CC=C5)C

InChI

InChI=1S/C27H31N3O3S2/c1-21-13-14-26-27(22(21)2)30(24-11-6-7-12-25(24)35(26)31)16-8-15-28-17-19-29(20-18-28)34-33-32-23-9-4-3-5-10-23/h3-7,9-14H,8,15-20H2,1-2H3