4-(4-methoxyphenyl)sulfanyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-methoxyphenyl)sulfanyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-[(4-methoxyphenyl)thio]-1-[4-(6-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-[(4-methoxyphenyl)thio]-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O2S2/c1-17-5-10-20-21(16-17)30-23(24-20)26-13-11-25(12-14-26)22(27)4-3-15-29-19-8-6-18(28-2)7-9-19/h5-10,16H,3-4,11-15H2,1-2H3