2-(1-adamantyl)-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C25H26FN5OS MolecularWeight: 463.570243

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=NN(N=C5C=C4)C6=CC=C(C=C6)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=NN(N=C5C=C4)C6=CC=C(C=C6)F

InChI

InChI=1S/C25H26FN5OS/c26-18-1-4-20(5-2-18)31-29-21-6-3-19(10-22(21)30-31)27-24(33)28-23(32)14-25-11-15-7-16(12-25)9-17(8-15)13-25/h1-6,10,15-17H,7-9,11-14H2,(H2,27,28,32,33)