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

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C21H26N4O3S/c1-3-28-12-6-11-25-19(27)16-7-4-5-8-17(16)23-20(25)29-13-18(26)24-21(2,14-22)15-9-10-15/h4-5,7-8,15H,3,6,9-13H2,1-2H3,(H,24,26)/t21-/m1/s1