N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C22H18FN5O2S MolecularWeight: 435.474023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)COC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)COC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN5O2S/c1-14-11-19-20(27-28(26-19)16-9-7-15(23)8-10-16)12-18(14)24-22(31)25-21(29)13-30-17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H2,24,25,29,31)