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

Systemtic Name: (2S)-2-[3-[(2R)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-propanamide Openeye Name: (2S)-2-[3-[(1R)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-propyl-propanamide CAS Name: (2S)-2-[[3-[(2R)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-propylpropanamide IUPAC Name: (2S)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-propylpropanamide Traditional Name: (2S)-2-[[4-keto-3-[(1R)-1-methylpropyl]quinazolin-2-yl]thio]-N-propyl-propionamide Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C(C)CC

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NC2=CC=CC=C2C(=O)N1[C@H](C)CC

InChI

InChI=1S/C18H25N3O2S/c1-5-11-19-16(22)13(4)24-18-20-15-10-8-7-9-14(15)17(23)21(18)12(3)6-2/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,22)/t12-,13+/m1/s1