[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl N,N'-dibutylcarbamimidothioate hydrobromide

Systemtic Name: [3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl N,N'-dibutylcarbamimidothioate hydrobromide Openeye Name: 1,3-dibutyl-2-[[3-(o-tolyl)-4-oxo-quinazolin-2-yl]methyl]isothiourea hydrobromide CAS Name: N,N'-dibutylcarbamimidothioic acid [3-(2-methylphenyl)-4-oxo-2-quinazolinyl]methyl ester hydrobromide IUPAC Name: [3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl N,N'-dibutylcarbamimidothioate hydrobromide Traditional Name: 1,3-dibutyl-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]methyl]isothiourea hydrobromide Formula: C25H33BrN4OS MolecularWeight: 517.52472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=NCCCC)SCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C.Br

Isomeric SMILES

CCCCNC(=NCCCC)SCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C.Br

InChI

InChI=1S/C25H32N4OS.BrH/c1-4-6-16-26-25(27-17-7-5-2)31-18-23-28-21-14-10-9-13-20(21)24(30)29(23)22-15-11-8-12-19(22)3;/h8-15H,4-7,16-18H2,1-3H3,(H,26,27);1H