3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(1,3-benzothiazol-2-ylthio)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C18H19N5OS2 MolecularWeight: 385.50636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H19N5OS2/c24-16(6-13-25-18-21-14-4-1-2-5-15(14)26-18)22-9-11-23(12-10-22)17-19-7-3-8-20-17/h1-5,7-8H,6,9-13H2