2-(1-adamantyl)-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C26H28FN5OS MolecularWeight: 477.596823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)F

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)F

InChI

InChI=1S/C26H28FN5OS/c1-15-6-22-23(31-32(30-22)20-4-2-19(27)3-5-20)10-21(15)28-25(34)29-24(33)14-26-11-16-7-17(12-26)9-18(8-16)13-26/h2-6,10,16-18H,7-9,11-14H2,1H3,(H2,28,29,33,34)