N-[4-[[3-chloranyl-4-(1-hydroxyethyl)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[[3-chloranyl-4-(1-hydroxyethyl)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[3-chloro-4-(1-hydroxyethyl)phenyl]carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[3-chloro-4-(1-hydroxyethyl)anilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[3-chloro-4-(1-hydroxyethyl)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[3-chloro-4-(1-hydroxyethyl)phenyl]thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H19ClFN3O2S MolecularWeight: 443.921563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClFN3O2S/c1-13(28)17-11-10-16(12-19(17)23)27-22(30)26-15-8-6-14(7-9-15)25-21(29)18-4-2-3-5-20(18)24/h2-13,28H,1H3,(H,25,29)(H2,26,27,30)