2-[(4-ethenylphenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-(2-methoxyethyl)-4-oxo-3-phenethyl-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 2-[(4-ethenylphenyl)methylthio]-N-(2-methoxyethyl)-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 4-keto-N-(2-methoxyethyl)-3-phenethyl-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C29H29N3O3S MolecularWeight: 499.62386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C=C)CCC4=CC=CC=C4

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C=C)CCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O3S/c1-3-21-9-11-23(12-10-21)20-36-29-31-26-19-24(27(33)30-16-18-35-2)13-14-25(26)28(34)32(29)17-15-22-7-5-4-6-8-22/h3-14,19H,1,15-18,20H2,2H3,(H,30,33)