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

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(isobutylcarbamoyl)acetamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(isobutylcarbamoyl)acetamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NCC(C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C21H30N4O3S/c1-4-5-6-9-12-25-19(27)16-10-7-8-11-17(16)23-21(25)29-14-18(26)24-20(28)22-13-15(2)3/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3,(H2,22,24,26,28)