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

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)C(C)(C)C)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)C(C)(C)C)OC)C

InChI

InChI=1S/C29H31N3O3S/c1-18-13-19(2)15-21(14-18)32-27(34)22-9-7-8-10-23(22)31-28(32)36-17-26(33)30-24-16-20(29(3,4)5)11-12-25(24)35-6/h7-16H,17H2,1-6H3,(H,30,33)