4-(pyrimidin-4-ylcarbamothioylamino)benzamide

Systemtic Name: 4-(pyrimidin-4-ylcarbamothioylamino)benzamide Openeye Name: 4-(pyrimidin-4-ylcarbamothioylamino)benzamide CAS Name: 4-[[(4-pyrimidinylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-(pyrimidin-4-ylcarbamothioylamino)benzamide Traditional Name: 4-(4-pyrimidylthiocarbamoylamino)benzamide Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=S)NC2=NC=NC=C2

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=S)NC2=NC=NC=C2

InChI

InChI=1S/C12H11N5OS/c13-11(18)8-1-3-9(4-2-8)16-12(19)17-10-5-6-14-7-15-10/h1-7H,(H2,13,18)(H2,14,15,16,17,19)