1,2-dimethyl-10-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]phenothiazine 5-oxide

Systemtic Name: 1,2-dimethyl-10-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]phenothiazine 5-oxide Openeye Name: 10-[2-(4-benzylpiperazin-1-yl)ethyl]-1,2-dimethyl-phenothiazine 5-oxide CAS Name: 1,2-dimethyl-10-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]phenothiazine 5-oxide IUPAC Name: 10-[2-(4-benzylpiperazin-1-yl)ethyl]-1,2-dimethylphenothiazine 5-oxide Traditional Name: 10-[2-(4-benzylpiperazino)ethyl]-1,2-dimethyl-phenothiazine 5-oxide Formula: C27H31N3OS MolecularWeight: 445.61954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCN4CCN(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCN4CCN(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C27H31N3OS/c1-21-12-13-26-27(22(21)2)30(24-10-6-7-11-25(24)32(26)31)19-18-28-14-16-29(17-15-28)20-23-8-4-3-5-9-23/h3-13H,14-20H2,1-2H3