4-bromanyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide hydrochloride

Systemtic Name: 4-bromanyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide hydrochloride Openeye Name: 4-bromo-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide hydrochloride CAS Name: 4-bromo-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide hydrochloride IUPAC Name: 4-bromo-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide hydrochloride Traditional Name: 4-bromo-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide hydrochloride Formula: C19H18BrClF3N3O2S MolecularWeight: 524.78233

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC=C(C=C3)Br.Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC=C(C=C3)Br.Cl

InChI

InChI=1S/C19H17BrF3N3O2S.ClH/c20-14-4-1-12(2-5-14)17(27)25-18(29)24-15-11-13(19(21,22)23)3-6-16(15)26-7-9-28-10-8-26;/h1-6,11H,7-10H2,(H2,24,25,27,29);1H