N-[[(1S)-1-(1-adamantyl)ethyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[(1S)-1-(1-adamantyl)ethyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[(1S)-1-(1-adamantyl)ethyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[(1S)-1-(1-adamantyl)ethyl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[(1S)-1-(1-adamantyl)ethyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[(1S)-1-(1-adamantyl)ethyl]thiocarbamoyl]-piperonylamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H26N2O3S/c1-12(21-8-13-4-14(9-21)6-15(5-13)10-21)22-20(27)23-19(24)16-2-3-17-18(7-16)26-11-25-17/h2-3,7,12-15H,4-6,8-11H2,1H3,(H2,22,23,24,27)/t12-,13?,14?,15?,21?/m0/s1