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

Systemtic Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: (2R)-N-(3-cyano-2-thienyl)-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-(3-cyano-2-thiophenyl)propanamide IUPAC Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: (2R)-N-(3-cyano-2-thienyl)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]propionamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H20N4O2S2/c1-4-12(2)24-19(26)15-7-5-6-8-16(15)22-20(24)28-13(3)17(25)23-18-14(11-21)9-10-27-18/h5-10,12-13H,4H2,1-3H3,(H,23,25)/t12-,13+/m0/s1