1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-(p-tolyl)butane-1,4-dione CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-4-(4-methylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-4-(p-tolyl)butane-1,4-dione Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

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