2-[(4-cyanophenyl)methylsulfanyl]-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-benzamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H20N4O2S/c1-29(15-23-27-21-8-4-2-6-19(21)24(30)28-23)25(31)20-7-3-5-9-22(20)32-16-18-12-10-17(14-26)11-13-18/h2-13H,15-16H2,1H3,(H,27,28,30)