2-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)ethanamide

Systemtic Name: 2-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)ethanamide Openeye Name: 2-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)acetamide CAS Name: 2-(1-adamantyl)-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)acetamide Traditional Name: 2-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)acetamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N2O3S/c24-19(12-21-9-13-5-14(10-21)7-15(6-13)11-21)23-20(27)22-16-1-2-17-18(8-16)26-4-3-25-17/h1-2,8,13-15H,3-7,9-12H2,(H2,22,23,24,27)