N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-3-methyl-coumarilamide Formula: C23H16FN5O2S MolecularWeight: 445.468843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H16FN5O2S/c1-13-17-4-2-3-5-20(17)31-21(13)22(30)26-23(32)25-15-8-11-18-19(12-15)28-29(27-18)16-9-6-14(24)7-10-16/h2-12H,1H3,(H2,25,26,30,32)