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

Systemtic Name: 4-ethyl-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-ethyl-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 4-ethyl-N-[[[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethyl-N-[[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-ethyl-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C23H20FN5OS MolecularWeight: 433.501203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN5OS/c1-3-15-4-6-16(7-5-15)22(30)26-23(31)25-19-13-21-20(12-14(19)2)27-29(28-21)18-10-8-17(24)9-11-18/h4-13H,3H2,1-2H3,(H2,25,26,30,31)