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

Systemtic Name: 2-chloranyl-4-fluoranyl-N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 2-chloro-4-fluoro-N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 2-chloro-4-fluoro-N-[[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-4-fluoro-N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 2-chloro-4-fluoro-N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C22H15ClFN3O3S MolecularWeight: 455.889203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C22H15ClFN3O3S/c1-29-15-4-2-3-12(9-15)21-26-18-11-14(6-8-19(18)30-21)25-22(31)27-20(28)16-7-5-13(24)10-17(16)23/h2-11H,1H3,(H2,25,27,28,31)