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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(3-methylbutanoylcarbamothioylamino)benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-(3-methylbutanoylcarbamothioylamino)benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-(3-methylbutanoylcarbamothioylamino)benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-(isovalerylthiocarbamoylamino)benzamide Formula: C19H19ClFN3O2S MolecularWeight: 407.889463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C19H19ClFN3O2S/c1-11(2)8-17(25)24-19(27)23-13-5-3-4-12(9-13)18(26)22-14-6-7-16(21)15(20)10-14/h3-7,9-11H,8H2,1-2H3,(H,22,26)(H2,23,24,25,27)