1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-phenyl-butane-1,4-dione

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-phenyl-butane-1,4-dione Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-phenyl-butane-1,4-dione CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-phenylbutane-1,4-dione IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-phenylbutane-1,4-dione Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-4-phenyl-butane-1,4-dione Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CCC(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O2S/c25-19(16-7-2-1-3-8-16)12-13-21(26)24-14-6-9-17(15-24)22-23-18-10-4-5-11-20(18)27-22/h1-5,7-8,10-11,17H,6,9,12-15H2/t17-/m1/s1