2-[3-[(2R)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[3-[(2R)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[3-[(1R)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-[(2R)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[4-keto-3-[(1R)-1-methylpropyl]quinazolin-2-yl]thio]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC[C@@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O4S/c1-4-13(2)24-20(27)15-8-5-6-9-17(15)23-21(24)30-12-19(26)22-16-10-7-11-18(14(16)3)25(28)29/h5-11,13H,4,12H2,1-3H3,(H,22,26)/t13-/m1/s1