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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(hexanoylcarbamothioylamino)benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-(hexanoylcarbamothioylamino)benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-(hexanoylcarbamothioylamino)benzamide Traditional Name: 3-(caproylthiocarbamoylamino)-N-(3-chloro-4-fluoro-phenyl)benzamide Formula: C20H21ClFN3O2S MolecularWeight: 421.916043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFN3O2S/c1-2-3-4-8-18(26)25-20(28)24-14-7-5-6-13(11-14)19(27)23-15-9-10-17(22)16(21)12-15/h5-7,9-12H,2-4,8H2,1H3,(H,23,27)(H2,24,25,26,28)