N-(cyclohexylcarbamoyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3CCCCC3

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C21H28N4O3S/c1-14(2)12-25-19(27)16-10-6-7-11-17(16)23-21(25)29-13-18(26)24-20(28)22-15-8-4-3-5-9-15/h6-7,10-11,14-15H,3-5,8-9,12-13H2,1-2H3,(H2,22,24,26,28)