N-[(5-butyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)carbamothioyl]benzamide

Systemtic Name: N-[(5-butyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)carbamothioyl]benzamide Openeye Name: N-[(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)carbamothioyl]benzamide CAS Name: N-[[(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)carbamothioyl]benzamide Traditional Name: N-[(5-butyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thiocarbamoyl]benzamide Formula: C17H20N4O2S MolecularWeight: 344.4313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)NC(=S)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)NC(=S)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C17H20N4O2S/c1-3-4-10-13-11(2)18-16(19-15(13)23)21-17(24)20-14(22)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H3,18,19,20,21,22,23,24)