3-[(3-chlorophenyl)carbonylcarbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-[(3-chlorophenyl)carbonylcarbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[(3-chlorobenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[[[[(3-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[(3-chlorobenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[(3-chlorobenzoyl)thiocarbamoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C22H15ClF3N3O2S MolecularWeight: 477.88661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H15ClF3N3O2S/c23-16-7-1-4-13(10-16)20(31)29-21(32)28-17-8-2-5-14(11-17)19(30)27-18-9-3-6-15(12-18)22(24,25)26/h1-12H,(H,27,30)(H2,28,29,31,32)