2-(2-methylphenoxy)-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-methylphenoxy)-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(2-methylphenoxy)-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(2-methylphenoxy)-1-[4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-methylphenoxy)-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(2-methylphenoxy)-1-[4-[4-(methylthio)-1,3-benzothiazol-2-yl]piperazino]ethanone Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C21H23N3O2S2/c1-15-6-3-4-7-16(15)26-14-19(25)23-10-12-24(13-11-23)21-22-20-17(27-2)8-5-9-18(20)28-21/h3-9H,10-14H2,1-2H3