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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(3-chlorophenyl)methyl]ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(3-chlorophenyl)methyl]acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-[(3-chlorophenyl)methyl]acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-chlorophenyl)methyl]acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(3-chlorobenzyl)acetamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-2-3-11-25-20(27)17-9-4-5-10-18(17)24-21(25)28-14-19(26)23-13-15-7-6-8-16(22)12-15/h4-10,12H,2-3,11,13-14H2,1H3,(H,23,26)