N-(3-methylbutylcarbamoyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(isoamylcarbamoyl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(C)C

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(C)C

InChI

InChI=1S/C21H30N4O3S/c1-14(2)9-11-22-20(28)24-18(26)13-29-21-23-17-8-6-5-7-16(17)19(27)25(21)12-10-15(3)4/h5-8,14-15H,9-13H2,1-4H3,(H2,22,24,26,28)