1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-(2-pyrimidylthio)ethanone Formula: C18H18N4OS2 MolecularWeight: 370.49172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NC=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CSC2=NC=CC=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H18N4OS2/c23-16(12-24-18-19-8-4-9-20-18)22-10-3-5-13(11-22)17-21-14-6-1-2-7-15(14)25-17/h1-2,4,6-9,13H,3,5,10-12H2/t13-/m0/s1