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

Systemtic Name: (2S)-2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-propyl-propanamide Openeye Name: (2S)-2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-propyl-propanamide CAS Name: (2S)-2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-propylpropanamide IUPAC Name: (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylpropanamide Traditional Name: (2S)-2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-propyl-propionamide Formula: C17H22BrN3O2S MolecularWeight: 412.34448

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCC

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCC

InChI

InChI=1S/C17H22BrN3O2S/c1-4-8-19-15(22)11(3)24-17-20-14-7-6-12(18)10-13(14)16(23)21(17)9-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,22)/t11-/m0/s1