2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-3-13(2)23-19(26)16-6-4-5-7-17(16)22-20(23)29-12-18(25)21-14-8-10-15(11-9-14)24(27)28/h4-11,13H,3,12H2,1-2H3,(H,21,25)/t13-/m0/s1