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

Systemtic Name: (2S)-N-(2-methylpropyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-isobutyl-propanamide CAS Name: (2S)-N-(2-methylpropyl)-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide Traditional Name: (2S)-2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-isobutyl-propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-15(2)13-23-20(26)16(3)28-22-24-19-12-8-7-11-18(19)21(27)25(22)14-17-9-5-4-6-10-17/h4-12,15-16H,13-14H2,1-3H3,(H,23,26)/t16-/m0/s1