N-(2-methoxyphenyl)-4-(3-pyrimidin-2-ylsulfanylpropanoylamino)benzamide

Systemtic Name: N-(2-methoxyphenyl)-4-(3-pyrimidin-2-ylsulfanylpropanoylamino)benzamide Openeye Name: N-(2-methoxyphenyl)-4-(3-pyrimidin-2-ylsulfanylpropanoylamino)benzamide CAS Name: N-(2-methoxyphenyl)-4-[[1-oxo-3-(2-pyrimidinylthio)propyl]amino]benzamide IUPAC Name: N-(2-methoxyphenyl)-4-(3-pyrimidin-2-ylsulfanylpropanoylamino)benzamide Traditional Name: N-(2-methoxyphenyl)-4-[3-(2-pyrimidylthio)propanoylamino]benzamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC=CC=N3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC=CC=N3

InChI

InChI=1S/C21H20N4O3S/c1-28-18-6-3-2-5-17(18)25-20(27)15-7-9-16(10-8-15)24-19(26)11-14-29-21-22-12-4-13-23-21/h2-10,12-13H,11,14H2,1H3,(H,24,26)(H,25,27)