N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-fluorophenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-fluorophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-fluorobenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[(4-fluorobenzoyl)carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-fluorobenzoyl)thiocarbamoylamino]benzamide Formula: C21H14ClF2N3O2S MolecularWeight: 445.869566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClF2N3O2S/c22-17-11-16(8-9-18(17)24)25-20(29)13-2-1-3-15(10-13)26-21(30)27-19(28)12-4-6-14(23)7-5-12/h1-11H,(H,25,29)(H2,26,27,28,30)