4-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]methyl]-N-(4-methoxyphenyl)benzamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3C5CC5

InChI

InChI=1S/C26H23N3O3S/c1-32-21-14-10-19(11-15-21)27-24(30)18-8-6-17(7-9-18)16-33-26-28-23-5-3-2-4-22(23)25(31)29(26)20-12-13-20/h2-11,14-15,20H,12-13,16H2,1H3,(H,27,30)