(4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[2-(trifluoromethyl)phenyl]carbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]isothiourea Formula: C17H13F3N4OS MolecularWeight: 378.37153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC(=NC3=CC=CC=C3C(F)(F)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC(=NC3=CC=CC=C3C(F)(F)F)N

InChI

InChI=1S/C17H13F3N4OS/c18-17(19,20)11-6-2-4-8-13(11)23-16(21)26-9-14-22-12-7-3-1-5-10(12)15(25)24-14/h1-8H,9H2,(H2,21,23)(H,22,24,25)