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

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-[(cyclopropylamino)-oxomethyl]propanamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(cyclopropylcarbamoyl)propionamide Formula: C18H21BrN4O3S MolecularWeight: 453.35334

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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)NC3CC3

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC(=O)NC3CC3

InChI

InChI=1S/C18H21BrN4O3S/c1-3-8-23-16(25)13-9-11(19)4-7-14(13)21-18(23)27-10(2)15(24)22-17(26)20-12-5-6-12/h4,7,9-10,12H,3,5-6,8H2,1-2H3,(H2,20,22,24,26)