(4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl carbamimidothioate

Systemtic Name: (4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl carbamimidothioate Openeye Name: 2-[(4-oxo-3-phenyl-quinazolin-2-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (4-oxo-3-phenyl-2-quinazolinyl)methyl ester IUPAC Name: (4-oxo-3-phenylquinazolin-2-yl)methyl carbamimidothioate Traditional Name: 2-[(4-keto-3-phenyl-quinazolin-2-yl)methyl]isothiourea Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC(=N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC(=N)N

InChI

InChI=1S/C16H14N4OS/c17-16(18)22-10-14-19-13-9-5-4-8-12(13)15(21)20(14)11-6-2-1-3-7-11/h1-9H,10H2,(H3,17,18)