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

Systemtic Name: [3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl N,N'-dimethylcarbamimidothioate Openeye Name: 1,3-dimethyl-2-[[3-(o-tolyl)-4-oxo-quinazolin-2-yl]methyl]isothiourea CAS Name: N,N'-dimethylcarbamimidothioic acid [3-(2-methylphenyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl N,N'-dimethylcarbamimidothioate Traditional Name: 2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]methyl]-1,3-dimethyl-isothiourea Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC(=NC)NC

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC(=NC)NC

InChI

InChI=1S/C19H20N4OS/c1-13-8-4-7-11-16(13)23-17(12-25-19(20-2)21-3)22-15-10-6-5-9-14(15)18(23)24/h4-11H,12H2,1-3H3,(H,20,21)