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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-methoxyphenyl)sulfanyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-[(4-methoxyphenyl)thio]-1-[4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-[(4-methoxyphenyl)thio]-1-[4-(4-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=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S2/c1-17-5-3-6-20-22(17)24-23(30-20)26-14-12-25(13-15-26)21(27)7-4-16-29-19-10-8-18(28-2)9-11-19/h3,5-6,8-11H,4,7,12-16H2,1-2H3