1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(5,6-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=CC2=C(C=C1C)SC(=N2)N3CCN(CC3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N3CCN(CC3)C(=O)CSC4=CC=CC=C4

InChI

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