1-(3-methyl-4-methylsulfanyl-phenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol

Systemtic Name: 1-(3-methyl-4-methylsulfanyl-phenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol Openeye Name: 1-(3-methyl-4-methylsulfanyl-phenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol CAS Name: 1-[3-methyl-4-(methylthio)phenoxy]-3-(4-phenyl-1-piperazinyl)-2-propanol IUPAC Name: 1-(3-methyl-4-methylsulfanylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol Traditional Name: 1-[3-methyl-4-(methylthio)phenoxy]-3-(4-phenylpiperazino)propan-2-ol Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O)SC

InChI

InChI=1S/C21H28N2O2S/c1-17-14-20(8-9-21(17)26-2)25-16-19(24)15-22-10-12-23(13-11-22)18-6-4-3-5-7-18/h3-9,14,19,24H,10-13,15-16H2,1-2H3