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

Systemtic Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C25H22F3N3O2S MolecularWeight: 485.52129

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H22F3N3O2S/c26-25(27,28)20-10-11-22(31-12-14-33-15-13-31)21(16-20)29-24(34)30-23(32)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-11,16H,12-15H2,(H2,29,30,32,34)