(2R)-N-(1-cyanocyclohexyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]propionamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H22N4OS2/c1-15(20(27)26-22(14-23)11-5-2-6-12-22)29-21-16-8-3-4-9-17(16)24-19(25-21)18-10-7-13-28-18/h3-4,7-10,13,15H,2,5-6,11-12H2,1H3,(H,26,27)/t15-/m1/s1