N-(1-adamantylcarbamothioyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(1-adamantylcarbamothioyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(1-adamantylcarbamothioyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(1-adamantylthiocarbamoyl)-piperonylamide Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c22-17(14-1-2-15-16(6-14)24-10-23-15)20-18(25)21-19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2,(H2,20,21,22,25)