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

Systemtic Name: (2S)-2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)propanamide Openeye Name: (2S)-2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide CAS Name: (2S)-2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methoxyphenyl)propanamide IUPAC Name: (2S)-2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)propanamide Traditional Name: (2S)-2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(2-methoxyphenyl)propionamide Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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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)NC3=CC=CC=C3OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)SC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(C)C

InChI

InChI=1S/C22H24BrN3O3S/c1-13(2)12-26-21(28)16-11-15(23)9-10-17(16)25-22(26)30-14(3)20(27)24-18-7-5-6-8-19(18)29-4/h5-11,13-14H,12H2,1-4H3,(H,24,27)/t14-/m0/s1