2-[[4-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl]piperazin-1-yl]methyl]phenol

Systemtic Name: 2-[[4-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl]piperazin-1-yl]methyl]phenol Openeye Name: 2-[[4-[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl]piperazin-1-yl]methyl]phenol CAS Name: 2-[[4-[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl]-1-piperazinyl]methyl]phenol IUPAC Name: 2-[[4-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]piperazin-1-yl]methyl]phenol Traditional Name: 2-[[4-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl]piperazino]methyl]phenol Formula: C28H33N3O2S MolecularWeight: 475.64552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN4CCN(CC4)CC5=CC=CC=C5O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN4CCN(CC4)CC5=CC=CC=C5O)C

InChI

InChI=1S/C28H33N3O2S/c1-21-12-13-27-28(22(21)2)31(24-9-4-6-11-26(24)34(27)33)15-7-14-29-16-18-30(19-17-29)20-23-8-3-5-10-25(23)32/h3-6,8-13,32H,7,14-20H2,1-2H3