methyl 4-[4-oxidanylidene-2-(3-phenylpropylsulfanyl)quinazolin-3-yl]benzoate

Systemtic Name: methyl 4-[4-oxidanylidene-2-(3-phenylpropylsulfanyl)quinazolin-3-yl]benzoate Openeye Name: methyl 4-[4-oxo-2-(3-phenylpropylsulfanyl)quinazolin-3-yl]benzoate CAS Name: 4-[4-oxo-2-(3-phenylpropylthio)-3-quinazolinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-oxo-2-(3-phenylpropylsulfanyl)quinazolin-3-yl]benzoate Traditional Name: 4-[4-keto-2-(3-phenylpropylthio)quinazolin-3-yl]benzoic acid methyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c1-30-24(29)19-13-15-20(16-14-19)27-23(28)21-11-5-6-12-22(21)26-25(27)31-17-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-16H,7,10,17H2,1H3