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

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(C)C

InChI

InChI=1S/C20H28N4O3S/c1-5-14(4)21-19(27)23-17(25)12-28-20-22-16-9-7-6-8-15(16)18(26)24(20)11-10-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3,(H2,21,23,25,27)/t14-/m0/s1