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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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