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

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O3S/c1-2-27-17-7-8-18-19(13-17)29-21(23-18)25-11-9-24(10-12-25)20(26)14-28-16-5-3-15(22)4-6-16/h3-8,13H,2,9-12,14H2,1H3