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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-phenylcarbamimidothioate Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methyl]-3-phenyl-isothiourea Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(N)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)N=C(N)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

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