(4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3-methylphenyl)carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C(N)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=CC=C1)N=C(N)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H16N4OS/c1-11-5-4-6-12(9-11)19-17(18)23-10-15-20-14-8-3-2-7-13(14)16(22)21-15/h2-9H,10H2,1H3,(H2,18,19)(H,20,21,22)