N-(2-adamantylcarbamothioyl)-3-phenylmethoxy-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-3-phenylmethoxy-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-3-benzyloxy-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-3-phenylmethoxybenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-3-benzoxy-benzamide Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H28N2O2S/c28-24(19-7-4-8-22(14-19)29-15-16-5-2-1-3-6-16)27-25(30)26-23-20-10-17-9-18(12-20)13-21(23)11-17/h1-8,14,17-18,20-21,23H,9-13,15H2,(H2,26,27,28,30)