2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)ethanamide

Systemtic Name: 2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: 2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(isobutylcarbamoyl)acetamide CAS Name: 2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: 2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-(isobutylcarbamoyl)acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

Isomeric SMILES

CC(C)CNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

InChI

InChI=1S/C21H28N4O3S/c1-14(2)12-22-20(28)24-18(26)13-29-21-23-17-11-7-6-10-16(17)19(27)25(21)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)