[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C23H21N5OS2 MolecularWeight: 447.57574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N5OS2/c29-21(27-12-14-28(15-13-27)22-24-10-3-11-25-22)18-8-6-17(7-9-18)16-30-23-26-19-4-1-2-5-20(19)31-23/h1-11H,12-16H2