2-(4-ethoxyphenoxy)-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-ethoxyphenoxy)-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-ethoxyphenoxy)-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-ethoxyphenoxy)-1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-ethoxyphenoxy)-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-ethoxyphenoxy)-1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]ethanone Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C22H25N3O3S2/c1-3-27-16-4-6-17(7-5-16)28-15-21(26)24-10-12-25(13-11-24)22-23-19-9-8-18(29-2)14-20(19)30-22/h4-9,14H,3,10-13,15H2,1-2H3