4-phenyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,2,3-thiadiazol-5-yl]piperazine-1-carboxamide

Systemtic Name: 4-phenyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,2,3-thiadiazol-5-yl]piperazine-1-carboxamide Openeye Name: 4-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide CAS Name: N-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-thiadiazolyl]-4-phenyl-1-piperazinecarboxamide IUPAC Name: 4-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide Traditional Name: 4-phenyl-N-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]thiadiazol-5-yl]piperazine-1-carboxamide Formula: C22H25N9O2S MolecularWeight: 479.558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)NC3=C(N=NS3)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)NC3=C(N=NS3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C22H25N9O2S/c32-20(29-11-13-30(14-12-29)21-23-7-4-8-24-21)18-19(34-27-26-18)25-22(33)31-15-9-28(10-16-31)17-5-2-1-3-6-17/h1-8H,9-16H2,(H,25,33)