3-chloranyl-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C23H13ClFN3O2S2 MolecularWeight: 481.949623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl)F

InChI

InChI=1S/C23H13ClFN3O2S2/c24-19-14-6-2-4-8-18(14)32-20(19)21(29)28-23(31)26-12-9-10-17-16(11-12)27-22(30-17)13-5-1-3-7-15(13)25/h1-11H,(H2,26,28,29,31)