N-(tert-butylcarbamoyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)NC(C)(C)C

InChI

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