N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C23H20FN5O3S MolecularWeight: 465.500003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C=CC=C3OC)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C=CC=C3OC)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN5O3S/c1-13-11-17-18(28-29(27-17)15-9-7-14(24)8-10-15)12-16(13)25-23(33)26-22(30)21-19(31-2)5-4-6-20(21)32-3/h4-12H,1-3H3,(H2,25,26,30,33)