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

Systemtic Name: N-[4-[(3-chloranyl-4-propoxy-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-chloro-4-propoxy-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(3-chloro-4-propoxyanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-chloro-4-propoxyphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(3-chloro-4-propoxy-phenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C23H21ClFN3O2S MolecularWeight: 457.948143

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C23H21ClFN3O2S/c1-2-13-30-21-12-11-17(14-19(21)24)28-23(31)27-16-9-7-15(8-10-16)26-22(29)18-5-3-4-6-20(18)25/h3-12,14H,2,13H2,1H3,(H,26,29)(H2,27,28,31)