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

Systemtic Name: methyl 4-oxidanylidene-3-(2-phenylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-(2-phenylpropyl)-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-(2-phenylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-(2-phenylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(2-phenylpropyl)-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(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S)C3=CC=CC=C3

Isomeric SMILES

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S/c1-12(13-6-4-3-5-7-13)11-21-17(22)15-9-8-14(18(23)24-2)10-16(15)20-19(21)25/h3-10,12H,11H2,1-2H3,(H,20,25)