N-(4-tert-butylphenyl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-tert-butylphenyl)-2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-tert-butylphenyl)-2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H27N3O3S/c1-27(2,3)18-12-14-19(15-13-18)28-24(31)17-34-26-29-23-11-6-5-10-22(23)25(32)30(26)20-8-7-9-21(16-20)33-4/h5-16H,17H2,1-4H3,(H,28,31)