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

Systemtic Name: 2-(1-adamantyl)-N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(4-ethylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C28H33N5OS MolecularWeight: 487.65952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C28H33N5OS/c1-3-18-4-6-22(7-5-18)33-31-24-8-17(2)23(12-25(24)32-33)29-27(35)30-26(34)16-28-13-19-9-20(14-28)11-21(10-19)15-28/h4-8,12,19-21H,3,9-11,13-16H2,1-2H3,(H2,29,30,34,35)