N-[[4-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[4-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C21H13ClFN3O2S MolecularWeight: 425.863223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl)F

InChI

InChI=1S/C21H13ClFN3O2S/c22-13-7-10-18-17(11-13)25-20(28-18)12-5-8-14(9-6-12)24-21(29)26-19(27)15-3-1-2-4-16(15)23/h1-11H,(H2,24,26,27,29)