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

Systemtic Name: 1-[4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanyl-butan-1-one CAS Name: 1-[4-(4-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-fluorophenyl)thio]-1-butanone IUPAC Name: 1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazino]-4-[(4-fluorophenyl)thio]butan-1-one Formula: C21H21ClFN3OS2 MolecularWeight: 449.992343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=CC=C3Cl)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=CC=C3Cl)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21ClFN3OS2/c22-17-3-1-4-18-20(17)24-21(29-18)26-12-10-25(11-13-26)19(27)5-2-14-28-16-8-6-15(23)7-9-16/h1,3-4,6-9H,2,5,10-14H2