N-(methylcarbamoyl)-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(methylcarbamoyl)-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-[(1S)-1,5-dimethylhexyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide CAS Name: N-(methylcarbamoyl)-2-[[3-[(2S)-6-methylheptan-2-yl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(methylcarbamoyl)-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-[(1S)-1,5-dimethylhexyl]-4-keto-quinazolin-2-yl]thio]-N-(methylcarbamoyl)acetamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC

Isomeric SMILES

C[C@@H](CCCC(C)C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC

InChI

InChI=1S/C20H28N4O3S/c1-13(2)8-7-9-14(3)24-18(26)15-10-5-6-11-16(15)22-20(24)28-12-17(25)23-19(27)21-4/h5-6,10-11,13-14H,7-9,12H2,1-4H3,(H2,21,23,25,27)/t14-/m0/s1