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

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)propanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(isobutylcarbamoyl)propanamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-[(2-methylpropylamino)-oxomethyl]propanamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)propanamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(isobutylcarbamoyl)propionamide Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)NCC(C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C22H32N4O3S/c1-5-6-7-10-13-26-20(28)17-11-8-9-12-18(17)24-22(26)30-16(4)19(27)25-21(29)23-14-15(2)3/h8-9,11-12,15-16H,5-7,10,13-14H2,1-4H3,(H2,23,25,27,29)