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

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]ethanamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-acetamide Formula: C20H18N4O2S MolecularWeight: 378.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CSCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N4O2S/c1-24(11-18-22-17-5-3-2-4-16(17)20(26)23-18)19(25)13-27-12-15-8-6-14(10-21)7-9-15/h2-9H,11-13H2,1H3,(H,22,23,26)