N-(1-adamantylcarbamothioyl)-3,4,5-trimethoxy-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3,4,5-trimethoxy-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3,4,5-trimethoxy-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3,4,5-trimethoxybenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3,4,5-trimethoxy-benzamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O4S/c1-25-16-7-15(8-17(26-2)18(16)27-3)19(24)22-20(28)23-21-9-12-4-13(10-21)6-14(5-12)11-21/h7-8,12-14H,4-6,9-11H2,1-3H3,(H2,22,23,24,28)