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

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-isobutyl-N-(2-methoxyethyl)-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 2-[(4-ethenylphenyl)methylthio]-N-(2-methoxyethyl)-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(2-methoxyethyl)-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC)N=C1SCC3=CC=C(C=C3)C=C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC)N=C1SCC3=CC=C(C=C3)C=C

InChI

InChI=1S/C25H29N3O3S/c1-5-18-6-8-19(9-7-18)16-32-25-27-22-14-20(23(29)26-12-13-31-4)10-11-21(22)24(30)28(25)15-17(2)3/h5-11,14,17H,1,12-13,15-16H2,2-4H3,(H,26,29)