N-(3-chloranyl-4-fluoranyl-phenyl)-3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[3-(2-chlorophenyl)propanoylthiocarbamoylamino]benzamide Formula: C23H18Cl2FN3O2S MolecularWeight: 490.377323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)Cl

InChI

InChI=1S/C23H18Cl2FN3O2S/c24-18-7-2-1-4-14(18)8-11-21(30)29-23(32)28-16-6-3-5-15(12-16)22(31)27-17-9-10-20(26)19(25)13-17/h1-7,9-10,12-13H,8,11H2,(H,27,31)(H2,28,29,30,32)