2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(2R)-5-methylhexan-2-yl]ethanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(2R)-5-methylhexan-2-yl]ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1R)-1,4-dimethylpentyl]acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-[(2R)-5-methylhexan-2-yl]acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2R)-5-methylhexan-2-yl]acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-[(1R)-1,4-dimethylpentyl]acetamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)CCC(C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N[C@H](C)CCC(C)C

InChI

InChI=1S/C21H31N3O2S/c1-5-6-13-24-20(26)17-9-7-8-10-18(17)23-21(24)27-14-19(25)22-16(4)12-11-15(2)3/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,22,25)/t16-/m1/s1