3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(trifluoromethyloxy)phenyl]methyl]propanamide

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(trifluoromethyloxy)phenyl]methyl]propanamide Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[4-(trifluoromethoxy)benzyl]propionamide Formula: C19H16F3N3O3S MolecularWeight: 423.40885

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H16F3N3O3S/c20-19(21,22)28-13-7-5-12(6-8-13)11-23-16(26)9-10-25-17(27)14-3-1-2-4-15(14)24-18(25)29/h1-8H,9-11H2,(H,23,26)(H,24,29)