N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetamide Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C20H20ClN3O4S/c1-11-5-6-14-12(7-11)19(26)24(2)20(23-14)29-10-18(25)22-15-9-16(27-3)13(21)8-17(15)28-4/h5-9H,10H2,1-4H3,(H,22,25)