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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(3-nitrophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(3-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[(3-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[(3-nitrobenzoyl)thiocarbamoylamino]benzamide Formula: C21H14ClFN4O4S MolecularWeight: 472.876663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H14ClFN4O4S/c22-17-11-15(7-8-18(17)23)24-19(28)12-3-1-5-14(9-12)25-21(32)26-20(29)13-4-2-6-16(10-13)27(30)31/h1-11H,(H,24,28)(H2,25,26,29,32)