2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H26N4O4S/c1-3-4-5-8-14-26-22(29)17-10-6-7-11-19(17)25-23(26)32-15-21(28)24-18-12-9-13-20(16(18)2)27(30)31/h6-7,9-13H,3-5,8,14-15H2,1-2H3,(H,24,28)