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

Systemtic Name: N-[(2R)-6-methylheptan-2-yl]-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1,5-dimethylhexyl]-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(2R)-6-methylheptan-2-yl]-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(2R)-6-methylheptan-2-yl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1,5-dimethylhexyl]-2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)CCCC(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N[C@H](C)CCCC(C)C

InChI

InChI=1S/C21H31N3O2S/c1-5-13-24-20(26)17-11-6-7-12-18(17)23-21(24)27-14-19(25)22-16(4)10-8-9-15(2)3/h6-7,11-12,15-16H,5,8-10,13-14H2,1-4H3,(H,22,25)/t16-/m1/s1