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

Systemtic Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C21H16FN5O2S MolecularWeight: 421.447443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN5O2S/c22-14-6-9-16(10-7-14)27-25-18-11-8-15(12-19(18)26-27)23-21(30)24-20(28)13-29-17-4-2-1-3-5-17/h1-12H,13H2,(H2,23,24,28,30)