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

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(3-ethyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(3-ethyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(3-ethyl-4-oxo-2-benzo[g]quinazolinyl)thio]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(3-ethyl-4-keto-benzo[g]quinazolin-2-yl)thio]acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)NC(C)(C#N)C4CC4

Isomeric SMILES

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N[C@](C)(C#N)C4CC4

InChI

InChI=1S/C22H22N4O2S/c1-3-26-20(28)17-10-14-6-4-5-7-15(14)11-18(17)24-21(26)29-12-19(27)25-22(2,13-23)16-8-9-16/h4-7,10-11,16H,3,8-9,12H2,1-2H3,(H,25,27)/t22-/m1/s1