(2R)-N-(3-cyanothiophen-2-yl)-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(3-cyanothiophen-2-yl)-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-cyano-2-thienyl)propanamide CAS Name: (2R)-2-[(4-anilino-2-quinazolinyl)thio]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: (2R)-2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: (2R)-2-[(4-anilinoquinazolin-2-yl)thio]-N-(3-cyano-2-thienyl)propionamide Formula: C22H17N5OS2 MolecularWeight: 431.53328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)SC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)SC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C22H17N5OS2/c1-14(20(28)27-21-15(13-23)11-12-29-21)30-22-25-18-10-6-5-9-17(18)19(26-22)24-16-7-3-2-4-8-16/h2-12,14H,1H3,(H,27,28)(H,24,25,26)/t14-/m1/s1