2-(4-chloranylphenoxy)-1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H22ClN3O2S MolecularWeight: 415.93628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-14-3-4-15(2)20-19(14)23-21(28-20)25-11-9-24(10-12-25)18(26)13-27-17-7-5-16(22)6-8-17/h3-8H,9-13H2,1-2H3