2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]ethanone Formula: C20H20ClN3O3S3 MolecularWeight: 482.0391

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H20ClN3O3S3/c21-16-6-7-18-17(12-16)22-20(29-18)28-13-19(25)23-8-10-24(11-9-23)30(26,27)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2