1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(4-chloranylphenoxy)propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3S2)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3S2)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-15(27-17-8-6-16(22)7-9-17)21(26)25-12-10-24(11-13-25)14-20-23-18-4-2-3-5-19(18)28-20/h2-9,15H,10-14H2,1H3