(2S)-N-(3-cyanothiophen-2-yl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-cyanothiophen-2-yl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(3-cyano-2-thienyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(3-cyano-2-thiophenyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(3-cyanothiophen-2-yl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(3-cyano-2-thienyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C19H16N4O2S2/c1-11(16(24)22-17-12(10-20)8-9-26-17)27-19-21-15-5-3-2-4-14(15)18(25)23(19)13-6-7-13/h2-5,8-9,11,13H,6-7H2,1H3,(H,22,24)/t11-/m0/s1