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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-4-(1,3-benzothiazol-2-yl)-1-butanone IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-4-(1,3-benzothiazol-2-yl)butan-1-one Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O2S/c1-17(27)18-9-11-19(12-10-18)25-13-15-26(16-14-25)23(28)8-4-7-22-24-20-5-2-3-6-21(20)29-22/h2-3,5-6,9-12H,4,7-8,13-16H2,1H3