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

Systemtic Name: N-butyl-2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[7-chloro-3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[7-chloro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-butyl-2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[7-chloro-4-keto-3-(o-tolyl)quinazolin-2-yl]thio]acetamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3C

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C21H22ClN3O2S/c1-3-4-11-23-19(26)13-28-21-24-17-12-15(22)9-10-16(17)20(27)25(21)18-8-6-5-7-14(18)2/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,26)