N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,4-dimethoxy-benzamide

Systemtic Name: N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,4-dimethoxy-benzamide Openeye Name: N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,4-dimethoxy-benzamide CAS Name: N-[[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,4-dimethoxybenzamide IUPAC Name: N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,4-dimethoxybenzamide Traditional Name: N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2,4-dimethoxy-benzamide Formula: C23H18FN3O4S MolecularWeight: 451.470123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4F)OC

InChI

InChI=1S/C23H18FN3O4S/c1-29-14-8-9-16(20(12-14)30-2)21(28)27-23(32)25-13-7-10-19-18(11-13)26-22(31-19)15-5-3-4-6-17(15)24/h3-12H,1-2H3,(H2,25,27,28,32)