1-[4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethylsulfanyl)butan-1-one

Systemtic Name: 1-[4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethylsulfanyl)butan-1-one Openeye Name: 4-benzylsulfanyl-1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(4-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylmethylthio)-1-butanone IUPAC Name: 4-benzylsulfanyl-1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(benzylthio)-1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C22H24ClN3OS2 MolecularWeight: 446.02846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=CC=C3Cl)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=CC=C3Cl)C(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C22H24ClN3OS2/c23-18-8-4-9-19-21(18)24-22(29-19)26-13-11-25(12-14-26)20(27)10-5-15-28-16-17-6-2-1-3-7-17/h1-4,6-9H,5,10-16H2