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

Systemtic Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-benzyl-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-4-15(2)25-21(27)18-12-8-9-13-19(18)24-22(25)28-16(3)20(26)23-14-17-10-6-5-7-11-17/h5-13,15-16H,4,14H2,1-3H3,(H,23,26)/t15-,16+/m0/s1