methyl 3-[[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[[4-(3-morpholinopropylcarbamoyl)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[[4-[[3-(4-morpholinyl)propylamino]-oxomethyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[4-(3-morpholinopropylcarbamoyl)benzyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCCN4CCOCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C25H28N4O5S/c1-33-24(32)19-7-8-20-21(15-19)27-25(35)29(23(20)31)16-17-3-5-18(6-4-17)22(30)26-9-2-10-28-11-13-34-14-12-28/h3-8,15H,2,9-14,16H2,1H3,(H,26,30)(H,27,35)