N-[3-[(E)-C-methyl-N-(2-pyrimidin-2-ylsulfanylethanoylamino)carbonimidoyl]phenyl]benzamide

Systemtic Name: N-[3-[(E)-C-methyl-N-(2-pyrimidin-2-ylsulfanylethanoylamino)carbonimidoyl]phenyl]benzamide Openeye Name: N-[3-[(E)-C-methyl-N-[(2-pyrimidin-2-ylsulfanylacetyl)amino]carbonimidoyl]phenyl]benzamide CAS Name: N-[3-[(1E)-1-[[1-oxo-2-(2-pyrimidinylthio)ethyl]hydrazinylidene]ethyl]phenyl]benzamide IUPAC Name: N-[3-[(E)-C-methyl-N-[(2-pyrimidin-2-ylsulfanylacetyl)amino]carbonimidoyl]phenyl]benzamide Traditional Name: N-[3-[(E)-C-methyl-N-[[2-(2-pyrimidylthio)acetyl]amino]carbonimidoyl]phenyl]benzamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CSC1=NC=CC=N1)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C/C(=N\NC(=O)CSC1=NC=CC=N1)/C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N5O2S/c1-15(25-26-19(27)14-29-21-22-11-6-12-23-21)17-9-5-10-18(13-17)24-20(28)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,28)(H,26,27)/b25-15+