(2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide

Systemtic Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-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-(1-cyanocyclohexyl)propanamide IUPAC Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]propionamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C22H28N4O2S/c1-4-15(2)26-20(28)17-10-6-7-11-18(17)24-21(26)29-16(3)19(27)25-22(14-23)12-8-5-9-13-22/h6-7,10-11,15-16H,4-5,8-9,12-13H2,1-3H3,(H,25,27)/t15-,16+/m0/s1