2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]propionamide Formula: C22H21F3N4O4S MolecularWeight: 494.48675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C22H21F3N4O4S/c1-3-4-11-28-20(31)15-7-5-6-8-17(15)27-21(28)34-13(2)19(30)26-18-10-9-14(29(32)33)12-16(18)22(23,24)25/h5-10,12-13H,3-4,11H2,1-2H3,(H,26,30)