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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(4-methoxyphenyl)carbamimidothioate Openeye Name: 3-(4-methoxyphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-(4-methoxyphenyl)carbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-(4-methoxyphenyl)carbamimidothioate Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methyl]-3-(4-methoxyphenyl)isothiourea Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(N)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC1=CC=C(C=C1)N=C(N)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H16N4O2S/c1-23-12-8-6-11(7-9-12)19-17(18)24-10-15-20-14-5-3-2-4-13(14)16(22)21-15/h2-9H,10H2,1H3,(H2,18,19)(H,20,21,22)