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

Systemtic Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]-2-(phenylthio)ethanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CSC4=CC=CC=C4)C

InChI

InChI=1S/C21H23N3OS2/c1-15-8-9-18-20(16(15)2)22-21(27-18)24-12-10-23(11-13-24)19(25)14-26-17-6-4-3-5-7-17/h3-9H,10-14H2,1-2H3