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

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-[(cyclohexylamino)-oxomethyl]propanamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(cyclohexylcarbamoyl)propionamide Formula: C21H27BrN4O3S MolecularWeight: 495.43308

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC(=O)NC3CCCCC3

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C21H27BrN4O3S/c1-3-11-26-19(28)16-12-14(22)9-10-17(16)24-21(26)30-13(2)18(27)25-20(29)23-15-7-5-4-6-8-15/h9-10,12-13,15H,3-8,11H2,1-2H3,(H2,23,25,27,29)