1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-1-one CAS Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(phenylthio)-1-propanone IUPAC Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one Traditional Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]-3-(phenylthio)propan-1-one Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4)C

InChI

InChI=1S/C22H25N3OS2/c1-16-8-9-19-21(17(16)2)23-22(28-19)25-13-11-24(12-14-25)20(26)10-15-27-18-6-4-3-5-7-18/h3-9H,10-15H2,1-2H3