(4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(4-keto-1H-quinazolin-2-yl)methyl]isothiourea Formula: C16H12ClFN4OS MolecularWeight: 362.809083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC(=NC3=CC(=C(C=C3)F)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC(=NC3=CC(=C(C=C3)F)Cl)N

InChI

InChI=1S/C16H12ClFN4OS/c17-11-7-9(5-6-12(11)18)20-16(19)24-8-14-21-13-4-2-1-3-10(13)15(23)22-14/h1-7H,8H2,(H2,19,20)(H,21,22,23)