[4-(thiophen-2-ylcarbonylamino)phenyl] 3-(pyrimidin-2-ylamino)benzoate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 3-(pyrimidin-2-ylamino)benzoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 3-(pyrimidin-2-ylamino)benzoate CAS Name: 3-(2-pyrimidinylamino)benzoic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 3-(pyrimidin-2-ylamino)benzoate Traditional Name: 3-(2-pyrimidylamino)benzoic acid [4-(2-thenoylamino)phenyl] ester Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H16N4O3S/c27-20(19-6-2-13-30-19)25-16-7-9-18(10-8-16)29-21(28)15-4-1-5-17(14-15)26-22-23-11-3-12-24-22/h1-14H,(H,25,27)(H,23,24,26)