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

Systemtic Name: 1-[4-(1,2-benzothiazol-3-ylcarbonyl)piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[1,2-benzothiazol-3-yl(oxo)methyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(1,2-benzothiazole-3-carbonyl)piperazino]-2-phenyl-butan-1-one Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)C3=NSC4=CC=CC=C43

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O2S/c1-2-17(16-8-4-3-5-9-16)21(26)24-12-14-25(15-13-24)22(27)20-18-10-6-7-11-19(18)28-23-20/h3-11,17H,2,12-15H2,1H3