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

Systemtic Name: 2-(3-methylphenoxy)-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(3-methylphenoxy)-1-[4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(3-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=C1)OCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4SC

InChI

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