N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C18H20N4O2S/c1-3-22-16(24)13-6-4-5-7-14(13)20-17(22)25-10-15(23)21-18(2,11-19)12-8-9-12/h4-7,12H,3,8-10H2,1-2H3,(H,21,23)/t18-/m1/s1