2-(1-adamantyl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]acetamide Formula: C24H34N3O2S+ MolecularWeight: 428.61066

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33N3O2S/c28-22(15-24-12-18-9-19(13-24)11-20(10-18)14-24)26-23(30)25-21-3-1-17(2-4-21)16-27-5-7-29-8-6-27/h1-4,18-20H,5-16H2,(H2,25,26,28,30)/p+1