2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-cyclohexyl-N-methyl-propanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-cyclohexyl-N-methyl-propanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-cyclohexyl-N-methyl-propanamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-cyclohexyl-N-methylpropanamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-cyclohexyl-N-methylpropanamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-cyclohexyl-N-methyl-propionamide Formula: C21H28BrN3O2S MolecularWeight: 466.43492

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)N(C)C3CCCCC3

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)N(C)C3CCCCC3

InChI

InChI=1S/C21H28BrN3O2S/c1-4-12-25-20(27)17-13-15(22)10-11-18(17)23-21(25)28-14(2)19(26)24(3)16-8-6-5-7-9-16/h10-11,13-14,16H,4-9,12H2,1-3H3