N-(1,3-benzodioxol-5-ylmethylcarbamothioyl)adamantane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethylcarbamothioyl)adamantane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethylcarbamothioyl)adamantane-1-carboxamide CAS Name: N-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethylcarbamothioyl)adamantane-1-carboxamide Traditional Name: N-(piperonylthiocarbamoyl)adamantane-1-carboxamide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H24N2O3S/c23-18(20-7-13-3-14(8-20)5-15(4-13)9-20)22-19(26)21-10-12-1-2-16-17(6-12)25-11-24-16/h1-2,6,13-15H,3-5,7-11H2,(H2,21,22,23,26)