2-(1-adamantyl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]acetamide Formula: C24H35N4OS+ MolecularWeight: 427.6259

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N4OS/c1-27-6-8-28(9-7-27)21-4-2-20(3-5-21)25-23(30)26-22(29)16-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-5,17-19H,6-16H2,1H3,(H2,25,26,29,30)/p+1