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

Systemtic Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanophenyl)propanamide Openeye Name: (2R)-N-(2-cyanophenyl)-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-(2-cyanophenyl)propanamide IUPAC Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanophenyl)propanamide Traditional Name: (2R)-N-(2-cyanophenyl)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]propionamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C22H22N4O2S/c1-4-14(2)26-21(28)17-10-6-8-12-19(17)25-22(26)29-15(3)20(27)24-18-11-7-5-9-16(18)13-23/h5-12,14-15H,4H2,1-3H3,(H,24,27)/t14-,15+/m0/s1