[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC(=N)N

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC(=N)N

InChI

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