N-[4-[(4-butoxy-3-chloranyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(4-butoxy-3-chloranyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(4-butoxy-3-chloro-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(4-butoxy-3-chloroanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(4-butoxy-3-chlorophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(4-butoxy-3-chloro-phenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C24H23ClFN3O2S MolecularWeight: 471.974723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C24H23ClFN3O2S/c1-2-3-14-31-22-13-12-18(15-20(22)25)29-24(32)28-17-10-8-16(9-11-17)27-23(30)19-6-4-5-7-21(19)26/h4-13,15H,2-3,14H2,1H3,(H,27,30)(H2,28,29,32)