2-[(4-ethenylphenyl)methylsulfanyl]-N,3-bis(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-N,3-bis(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N,3-diisobutyl-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 2-[(4-ethenylphenyl)methylthio]-N,3-bis(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-N,3-bis(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N,3-diisobutyl-4-keto-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O2S/c1-6-19-7-9-20(10-8-19)16-32-26-28-23-13-21(24(30)27-14-17(2)3)11-12-22(23)25(31)29(26)15-18(4)5/h6-13,17-18H,1,14-16H2,2-5H3,(H,27,30)