(2R)-N-(1-cyanocyclohexyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C23H28N4O2S/c1-16(20(28)26-23(15-24)13-7-2-8-14-23)30-22-25-19-12-6-5-11-18(19)21(29)27(22)17-9-3-4-10-17/h5-6,11-12,16-17H,2-4,7-10,13-14H2,1H3,(H,26,28)/t16-/m1/s1