2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-N-phenethyl-acetamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O3S/c1-28-12-11-25-20(27)17-8-7-16(22)13-18(17)24-21(25)29-14-19(26)23-10-9-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,23,26)