N-[(4-methoxyphenyl)methyl]-4-[(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-[(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-[(6-morpholino-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-[[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]methyl]benzamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-[(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Traditional Name: 4-[(4-keto-6-morpholino-2-thioxo-1H-quinazolin-3-yl)methyl]-N-p-anisyl-benzamide Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

InChI

InChI=1S/C28H28N4O4S/c1-35-23-9-4-19(5-10-23)17-29-26(33)21-6-2-20(3-7-21)18-32-27(34)24-16-22(31-12-14-36-15-13-31)8-11-25(24)30-28(32)37/h2-11,16H,12-15,17-18H2,1H3,(H,29,33)(H,30,37)