2-[3-(4-butan-2-ylphenyl)-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: 2-[3-(4-butan-2-ylphenyl)-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-ethanamide Openeye Name: 2-[6-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanyl-N-methyl-acetamide CAS Name: 2-[[3-(4-butan-2-ylphenyl)-6-chloro-4-oxo-2-quinazolinyl]thio]-N-methylacetamide IUPAC Name: 2-[3-(4-butan-2-ylphenyl)-6-chloro-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide Traditional Name: 2-[[6-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC(=O)NC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC(=O)NC

InChI

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