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

Systemtic Name: (2R)-2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-benzyl-2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(C)C

InChI

InChI=1S/C22H24BrN3O2S/c1-14(2)13-26-21(28)18-11-17(23)9-10-19(18)25-22(26)29-15(3)20(27)24-12-16-7-5-4-6-8-16/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)/t15-/m1/s1