(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N,N'-diethylcarbamimidothioate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N,N'-diethylcarbamimidothioate Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-1,3-diethyl-isothiourea CAS Name: N,N'-diethylcarbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl N,N'-diethylcarbamimidothioate Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-1,3-diethyl-isothiourea Formula: C14H17ClN4OS MolecularWeight: 324.82898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC)SCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl

Isomeric SMILES

CCNC(=NCC)SCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl

InChI

InChI=1S/C14H17ClN4OS/c1-3-16-14(17-4-2)21-8-12-18-11-7-9(15)5-6-10(11)13(20)19-12/h5-7H,3-4,8H2,1-2H3,(H,16,17)(H,18,19,20)