2-(cyanomethylsulfanyl)-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(3,4-dimethoxyphenyl)-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-(3,4-dimethoxyphenyl)-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(3,4-dimethoxyphenyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-N-(3,4-dimethoxyphenyl)-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C27H24N4O4S MolecularWeight: 500.56886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H24N4O4S/c1-34-23-11-9-20(17-24(23)35-2)29-25(32)19-8-10-21-22(16-19)30-27(36-15-13-28)31(26(21)33)14-12-18-6-4-3-5-7-18/h3-11,16-17H,12,14-15H2,1-2H3,(H,29,32)