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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=CC=C(C=C4)F

InChI

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