N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[[(1R)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2R)-butan-2-yl]amino]-oxomethyl]-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-[[(1R)-1-methylpropyl]carbamoyl]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)NC(C)CC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)N[C@H](C)CC

InChI

InChI=1S/C21H30N4O3S/c1-4-6-7-10-13-25-19(27)16-11-8-9-12-17(16)23-21(25)29-14-18(26)24-20(28)22-15(3)5-2/h8-9,11-12,15H,4-7,10,13-14H2,1-3H3,(H2,22,24,26,28)/t15-/m1/s1