4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(1,3-benzothiazol-2-ylsulfanyl)butan-1-one CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-4-(1,3-benzothiazol-2-ylthio)-1-butanone IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(1,3-benzothiazol-2-ylsulfanyl)butan-1-one Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-4-(1,3-benzothiazol-2-ylthio)butan-1-one Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O2S2/c1-17(27)18-8-10-19(11-9-18)25-12-14-26(15-13-25)22(28)7-4-16-29-23-24-20-5-2-3-6-21(20)30-23/h2-3,5-6,8-11H,4,7,12-16H2,1H3