N-[4-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[[3-morpholino-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[3-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[[3-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C21H19F3N6O2S2 MolecularWeight: 508.53977

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=CC(=C2)C(F)(F)F)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CSN=N4

Isomeric SMILES

C1COCCN1C2=CC(=CC(=C2)C(F)(F)F)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CSN=N4

InChI

InChI=1S/C21H19F3N6O2S2/c22-21(23,24)13-9-16(11-17(10-13)30-5-7-32-8-6-30)27-20(33)26-15-3-1-14(2-4-15)25-19(31)18-12-34-29-28-18/h1-4,9-12H,5-8H2,(H,25,31)(H2,26,27,33)