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

Systemtic Name: 2-(4-ethoxyphenyl)-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-ethoxyphenyl)-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-ethoxyphenyl)-1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-ethoxyphenyl)-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]-2-p-phenetyl-ethanone Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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