methyl 4-oxidanylidene-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(4-isopropylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-p-cumenyl-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

InChI

InChI=1S/C19H18N2O3S/c1-11(2)12-4-7-14(8-5-12)21-17(22)15-9-6-13(18(23)24-3)10-16(15)20-19(21)25/h4-11H,1-3H3,(H,20,25)