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

Systemtic Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C22H18FN5O3S MolecularWeight: 451.473423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C22H18FN5O3S/c1-30-19-10-3-13(11-20(19)31-2)21(29)25-22(32)24-15-6-9-17-18(12-15)27-28(26-17)16-7-4-14(23)5-8-16/h3-12H,1-2H3,(H2,24,25,29,32)