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

Systemtic Name: 2-(1-adamantyl)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]acetamide Formula: C25H37N4OS+ MolecularWeight: 441.65248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4OS/c1-2-28-7-9-29(10-8-28)22-5-3-21(4-6-22)26-24(31)27-23(30)17-25-14-18-11-19(15-25)13-20(12-18)16-25/h3-6,18-20H,2,7-17H2,1H3,(H2,26,27,30,31)/p+1