1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone

Systemtic Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone Openeye Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone CAS Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-[4-(methylthio)phenyl]ethanone IUPAC Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone Traditional Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazino]-2-[4-(methylthio)phenyl]ethanone Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C22H25N3O2S2/c1-3-27-18-5-4-6-19-21(18)23-22(29-19)25-13-11-24(12-14-25)20(26)15-16-7-9-17(28-2)10-8-16/h4-10H,3,11-15H2,1-2H3