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

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

Systemtic Name:1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethylsulfanyl)butan-1-one
Openeye Name:4-benzylsulfanyl-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CAS Name:1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylmethylthio)-1-butanone
IUPAC Name:4-benzylsulfanyl-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
Traditional Name:4-(benzylthio)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]butan-1-one
Formula: C24H29N3O2S2
MolecularWeight: 455.63596
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCSCC4=CC=CC=C4


Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCSCC4=CC=CC=C4


InChI

InChI=1S/C24H29N3O2S2/c1-2-29-20-10-11-21-22(17-20)31-24(25-21)27-14-12-26(13-15-27)23(28)9-6-16-30-18-19-7-4-3-5-8-19/h3-5,7-8,10-11,17H,2,6,9,12-16,18H2,1H3


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