N-(1-adamantylcarbamothioyl)-3-phenylmethoxy-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-phenylmethoxy-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-benzyloxy-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-phenylmethoxybenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3-benzoxy-benzamide Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

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