5-butyl-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 5-butyl-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 5-butyl-6-phenyl-2-thioxo-hexahydropyrimidin-4-one CAS Name: 5-butyl-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 5-butyl-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 5-butyl-6-phenyl-2-thioxo-hexahydropyrimidin-4-one Formula: C14H18N2OS MolecularWeight: 262.37052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(NC(=S)NC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1C(NC(=S)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2OS/c1-2-3-9-11-12(10-7-5-4-6-8-10)15-14(18)16-13(11)17/h4-8,11-12H,2-3,9H2,1H3,(H2,15,16,17,18)