1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-chlorophenyl)sulfanyl-butan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-chlorophenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-chlorophenyl)sulfanyl-butan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-chlorophenyl)thio]-1-butanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-chlorophenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-4-[(4-chlorophenyl)thio]butan-1-one Formula: C21H22ClN3OS2 MolecularWeight: 432.00188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3OS2/c22-16-7-9-17(10-8-16)27-15-3-6-20(26)24-11-13-25(14-12-24)21-23-18-4-1-2-5-19(18)28-21/h1-2,4-5,7-10H,3,6,11-15H2