N-[(2-chlorophenyl)methyl]-2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[3-(2-methoxy-1-methyl-ethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[[3-(1-methoxypropan-2-yl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chlorobenzyl)-2-[[4-keto-3-(2-methoxy-1-methyl-ethyl)quinazolin-2-yl]thio]acetamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O3S/c1-14(12-28-2)25-20(27)16-8-4-6-10-18(16)24-21(25)29-13-19(26)23-11-15-7-3-5-9-17(15)22/h3-10,14H,11-13H2,1-2H3,(H,23,26)