(2S)-2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide Openeye Name: (2S)-2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(ethylcarbamoyl)propanamide CAS Name: (2S)-2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(ethylcarbamoyl)propanamide IUPAC Name: (2S)-2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide Traditional Name: (2S)-2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(ethylcarbamoyl)propionamide Formula: C18H23BrN4O3S MolecularWeight: 455.36922

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(C)C

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)SC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(C)C

InChI

InChI=1S/C18H23BrN4O3S/c1-5-20-17(26)22-15(24)11(4)27-18-21-14-7-6-12(19)8-13(14)16(25)23(18)9-10(2)3/h6-8,10-11H,5,9H2,1-4H3,(H2,20,22,24,26)/t11-/m0/s1