N-[(4-methoxyphenyl)methyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-5-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-5-[[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]amino]-4-thiadiazolecarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-5-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide Traditional Name: N-p-anisyl-5-[[4-(2-pyrimidyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxamide Formula: C20H22N8O3S MolecularWeight: 454.50548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=C(SN=N2)NC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=C(SN=N2)NC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H22N8O3S/c1-31-15-5-3-14(4-6-15)13-23-17(29)16-18(32-26-25-16)24-20(30)28-11-9-27(10-12-28)19-21-7-2-8-22-19/h2-8H,9-13H2,1H3,(H,23,29)(H,24,30)