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

Systemtic Name: 4-(4-methoxyphenyl)-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,2,3-thiadiazol-5-yl]piperazine-1-carboxamide Openeye Name: 4-(4-methoxyphenyl)-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide CAS Name: 4-(4-methoxyphenyl)-N-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-thiadiazolyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-methoxyphenyl)-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide Traditional Name: 4-(4-methoxyphenyl)-N-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]thiadiazol-5-yl]piperazine-1-carboxamide Formula: C23H27N9O3S MolecularWeight: 509.58398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=C(N=NS3)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=C(N=NS3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H27N9O3S/c1-35-18-5-3-17(4-6-18)29-9-15-32(16-10-29)23(34)26-20-19(27-28-36-20)21(33)30-11-13-31(14-12-30)22-24-7-2-8-25-22/h2-8H,9-16H2,1H3,(H,26,34)