2-[2-chloranyl-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenoxy]-N,N-diethyl-ethanamide

Systemtic Name: 2-[2-chloranyl-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenoxy]-N,N-diethyl-ethanamide Openeye Name: 2-[2-chloro-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)phenoxy]-N,N-diethyl-acetamide CAS Name: 2-[2-chloro-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenoxy]-N,N-diethylacetamide IUPAC Name: 2-[2-chloro-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenoxy]-N,N-diethylacetamide Traditional Name: 2-[2-chloro-4-(4-keto-2-thioxo-1H-quinazolin-3-yl)phenoxy]-N,N-diethyl-acetamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S)Cl

Isomeric SMILES

CCN(CC)C(=O)COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S)Cl

InChI

InChI=1S/C20H20ClN3O3S/c1-3-23(4-2)18(25)12-27-17-10-9-13(11-15(17)21)24-19(26)14-7-5-6-8-16(14)22-20(24)28/h5-11H,3-4,12H2,1-2H3,(H,22,28)