1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one

Systemtic Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]-4-(phenylthio)butan-1-one Formula: C23H27N3OS2 MolecularWeight: 425.60998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C23H27N3OS2/c1-2-18-10-11-20-21(17-18)29-23(24-20)26-14-12-25(13-15-26)22(27)9-6-16-28-19-7-4-3-5-8-19/h3-5,7-8,10-11,17H,2,6,9,12-16H2,1H3