N-(2-adamantylcarbamothioyl)-4-phenylmethoxy-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-4-phenylmethoxy-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-4-benzyloxy-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-4-phenylmethoxybenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-4-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=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

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

InChI

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