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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C(C)CCCC(C)C

Isomeric SMILES

CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1[C@H](C)CCCC(C)C

InChI

InChI=1S/C21H31N3O2S/c1-5-13-22-19(25)14-27-21-23-18-12-7-6-11-17(18)20(26)24(21)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