N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)C5=NC=CC=N5

InChI

InChI=1S/C22H22N6O2S/c29-20(15-27-10-12-28(13-11-27)22-23-8-3-9-24-22)25-14-16-6-7-18(30-16)21-26-17-4-1-2-5-19(17)31-21/h1-9H,10-15H2,(H,25,29)