(4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Traditional Name: 3-homoveratryl-2-[(4-keto-1H-quinazolin-2-yl)methyl]isothiourea Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN=C(N)SCC2=NC(=O)C3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN=C(N)SCC2=NC(=O)C3=CC=CC=C3N2)OC

InChI

InChI=1S/C20H22N4O3S/c1-26-16-8-7-13(11-17(16)27-2)9-10-22-20(21)28-12-18-23-15-6-4-3-5-14(15)19(25)24-18/h3-8,11H,9-10,12H2,1-2H3,(H2,21,22)(H,23,24,25)