N-(3-chloranyl-4-fluoranyl-phenyl)-3-(phenylcarbonylcarbamothioylamino)benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(phenylcarbonylcarbamothioylamino)benzamide Openeye Name: 3-(benzoylcarbamothioylamino)-N-(3-chloro-4-fluoro-phenyl)benzamide CAS Name: 3-[[benzamido(sulfanylidene)methyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide IUPAC Name: 3-(benzoylcarbamothioylamino)-N-(3-chloro-4-fluorophenyl)benzamide Traditional Name: 3-(benzoylthiocarbamoylamino)-N-(3-chloro-4-fluoro-phenyl)benzamide Formula: C21H15ClFN3O2S MolecularWeight: 427.879103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClFN3O2S/c22-17-12-16(9-10-18(17)23)24-20(28)14-7-4-8-15(11-14)25-21(29)26-19(27)13-5-2-1-3-6-13/h1-12H,(H,24,28)(H2,25,26,27,29)