3-(4-methoxyphenyl)sulfanyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-methoxyphenyl)sulfanyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 3-[(4-methoxyphenyl)thio]-1-[4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(4-methoxyphenyl)thio]-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCSC4=CC=C(C=C4)OC

InChI

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