N-butan-2-yl-2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C(=CC=C3)Cl)C

InChI

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