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

Systemtic Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]propionamide Formula: C21H19F3N4O5S MolecularWeight: 496.45957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H19F3N4O5S/c1-12(18(30)25-17-8-7-13(28(32)33)11-15(17)21(22,23)24)34-20-26-16-6-3-2-5-14(16)19(31)27(20)9-4-10-29/h2-3,5-8,11-12,29H,4,9-10H2,1H3,(H,25,30)