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

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-propyl-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 2-[(4-ethenylphenyl)methylthio]-3-(2-methylpropyl)-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-isobutyl-4-keto-N-propyl-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2S/c1-5-13-26-23(29)20-11-12-21-22(14-20)27-25(28(24(21)30)15-17(3)4)31-16-19-9-7-18(6-2)8-10-19/h6-12,14,17H,2,5,13,15-16H2,1,3-4H3,(H,26,29)