N-(2,6-dimethylphenyl)-2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H23N3O3S/c1-16-7-6-8-17(2)23(16)27-22(29)15-32-25-26-21-10-5-4-9-20(21)24(30)28(25)18-11-13-19(31-3)14-12-18/h4-14H,15H2,1-3H3,(H,27,29)