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

Systemtic Name: methyl 4-oxidanylidene-3-[[4-(phenethylcarbamoyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[[4-(phenethylcarbamoyl)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[[4-[oxo-(phenethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[[4-(phenethylcarbamoyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[4-(phenethylcarbamoyl)benzyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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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)NCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4S/c1-33-25(32)20-11-12-21-22(15-20)28-26(34)29(24(21)31)16-18-7-9-19(10-8-18)23(30)27-14-13-17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,27,30)(H,28,34)