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

Systemtic Name: N-[(4-methylphenyl)methyl]-4-[(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Openeye Name: 4-[(6-morpholino-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(p-tolylmethyl)benzamide CAS Name: N-[(4-methylphenyl)methyl]-4-[[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]methyl]benzamide IUPAC Name: N-[(4-methylphenyl)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-(4-methylbenzyl)benzamide Formula: C28H28N4O3S MolecularWeight: 500.61192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

InChI

InChI=1S/C28H28N4O3S/c1-19-2-4-20(5-3-19)17-29-26(33)22-8-6-21(7-9-22)18-32-27(34)24-16-23(31-12-14-35-15-13-31)10-11-25(24)30-28(32)36/h2-11,16H,12-15,17-18H2,1H3,(H,29,33)(H,30,36)