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

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O3S/c1-15-12-16(2)23(20(26)13-15)28-22(30)14-33-25-27-21-7-5-4-6-19(21)24(31)29(25)17-8-10-18(32-3)11-9-17/h4-13H,14H2,1-3H3,(H,28,30)