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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl N'-phenylcarbamimidothioate Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-phenyl-isothiourea Formula: C16H13ClN4OS MolecularWeight: 344.81862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN4OS/c17-10-6-7-12-13(8-10)20-14(21-15(12)22)9-23-16(18)19-11-4-2-1-3-5-11/h1-8H,9H2,(H2,18,19)(H,20,21,22)