(2R)-N-(3-cyanophenyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(3-cyanophenyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(3-cyanophenyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H18N4O2S/c1-13(19(26)23-15-6-4-5-14(11-15)12-22)28-21-24-18-8-3-2-7-17(18)20(27)25(21)16-9-10-16/h2-8,11,13,16H,9-10H2,1H3,(H,23,26)/t13-/m1/s1