N-(2-chloranyl-4-methyl-phenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O4S/c1-15-8-10-20(18(26)12-15)27-23(30)14-34-25-28-19-7-5-4-6-17(19)24(31)29(25)16-9-11-21(32-2)22(13-16)33-3/h4-13H,14H2,1-3H3,(H,27,30)