2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]ethanone Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S2/c1-2-27-18-8-9-19-20(14-18)29-22(23-19)28-16-21(26)25-12-10-24(11-13-25)15-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15-16H2,1H3