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

Systemtic Name: methyl 4-oxidanylidene-3-(3-phenylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-(3-phenylpropyl)-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-(3-phenylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-(3-phenylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(3-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:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S/c1-24-18(23)14-9-10-15-16(12-14)20-19(25)21(17(15)22)11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,25)