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

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]-N-phenethyl-acetamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H25N3O4S/c1-32-22-13-12-19(16-23(22)33-2)29-25(31)20-10-6-7-11-21(20)28-26(29)34-17-24(30)27-15-14-18-8-4-3-5-9-18/h3-13,16H,14-15,17H2,1-2H3,(H,27,30)