N-(5-tert-butyl-2-methoxy-phenyl)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]acetamide Formula: C28H29N3O3S MolecularWeight: 487.61316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)C(C)(C)C)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)C(C)(C)C)OC

InChI

InChI=1S/C28H29N3O3S/c1-18-10-6-9-13-23(18)31-26(33)20-11-7-8-12-21(20)30-27(31)35-17-25(32)29-22-16-19(28(2,3)4)14-15-24(22)34-5/h6-16H,17H2,1-5H3,(H,29,32)