1-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C20H20ClN3OS2 MolecularWeight: 417.9753

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C20H20ClN3OS2/c21-16-6-7-17-18(12-16)27-20(22-17)24-10-8-23(9-11-24)19(25)14-26-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2