3-(3,5-dimethylphenyl)-2-[(4-ethenylphenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(4-ethenylphenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-4-oxo-N-propyl-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(4-ethenylphenyl)methylthio]-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(4-ethenylphenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethylphenyl)-4-keto-N-propyl-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C29H29N3O2S MolecularWeight: 483.62446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O2S/c1-5-13-30-27(33)23-11-12-25-26(17-23)31-29(35-18-22-9-7-21(6-2)8-10-22)32(28(25)34)24-15-19(3)14-20(4)16-24/h6-12,14-17H,2,5,13,18H2,1,3-4H3,(H,30,33)