(2S)-N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-methyl-propanamide

Systemtic Name: (2S)-N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-methyl-propanamide Openeye Name: (2S)-N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-propanamide CAS Name: (2S)-N-(1-cyanocyclohexyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-methylpropanamide IUPAC Name: (2S)-N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-methylpropanamide Traditional Name: (2S)-N-(1-cyanocyclohexyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-methyl-propionamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C22H26N4O2S/c1-15(19(27)25(2)22(14-23)12-6-3-7-13-22)29-21-24-18-9-5-4-8-17(18)20(28)26(21)16-10-11-16/h4-5,8-9,15-16H,3,6-7,10-13H2,1-2H3/t15-/m0/s1