3-(4-chlorophenyl)sulfanyl-1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 3-[(4-chlorophenyl)thio]-1-[4-(6-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(4-chlorophenyl)thio]-1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S2/c1-27-16-4-7-18-19(14-16)29-21(23-18)25-11-9-24(10-12-25)20(26)8-13-28-17-5-2-15(22)3-6-17/h2-7,14H,8-13H2,1H3