N-(2-adamantylcarbamothioyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-adamantylcarbamothioyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-adamantylcarbamothioyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-adamantylthiocarbamoyl)-piperonylamide Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

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