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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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