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

Systemtic Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(p-tolylsulfanyl)butan-1-one CAS Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-methylphenyl)thio]-1-butanone IUPAC Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazino]-4-(p-tolylthio)butan-1-one Formula: C24H29N3OS2 MolecularWeight: 439.63656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)C

InChI

InChI=1S/C24H29N3OS2/c1-3-19-6-4-7-21-23(19)25-24(30-21)27-15-13-26(14-16-27)22(28)8-5-17-29-20-11-9-18(2)10-12-20/h4,6-7,9-12H,3,5,8,13-17H2,1-2H3