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

Systemtic Name: S-[[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl] carbamothioate Openeye Name: S-[[3-(o-tolyl)-4-oxo-quinazolin-2-yl]methyl] carbamothioate CAS Name: carbamothioic acid S-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]methyl] ester IUPAC Name: S-[[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl] carbamothioate Traditional Name: thiocarbamic acid S-[[4-keto-3-(o-tolyl)quinazolin-2-yl]methyl] ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S/c1-11-6-2-5-9-14(11)20-15(10-23-17(18)22)19-13-8-4-3-7-12(13)16(20)21/h2-9H,10H2,1H3,(H2,18,22)