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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[(4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-[(4-keto-1H-quinazolin-2-yl)methyl]isothiourea Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4OS/c18-17(19-10-12-6-2-1-3-7-12)23-11-15-20-14-9-5-4-8-13(14)16(22)21-15/h1-9H,10-11H2,(H2,18,19)(H,20,21,22)