2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3CCCCC3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C21H28N4O3S/c1-2-3-13-25-19(27)16-11-7-8-12-17(16)23-21(25)29-14-18(26)24-20(28)22-15-9-5-4-6-10-15/h7-8,11-12,15H,2-6,9-10,13-14H2,1H3,(H2,22,24,26,28)