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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-[(4-chlorophenyl)thio]-1-[4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-[(4-chlorophenyl)thio]-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C22H24ClN3OS2 MolecularWeight: 446.02846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3OS2/c1-16-4-2-5-19-21(16)24-22(29-19)26-13-11-25(12-14-26)20(27)6-3-15-28-18-9-7-17(23)8-10-18/h2,4-5,7-10H,3,6,11-15H2,1H3