2-[4-[[3,5-bis(chloranyl)phenyl]carbamothioyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[[3,5-bis(chloranyl)phenyl]carbamothioyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: N-tert-butyl-2-[4-[(3,5-dichlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(3,5-dichloroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(3,5-dichlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(3,5-dichlorophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H25Cl2N4OS+ MolecularWeight: 404.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C17H24Cl2N4OS/c1-17(2,3)21-15(24)11-22-4-6-23(7-5-22)16(25)20-14-9-12(18)8-13(19)10-14/h8-10H,4-7,11H2,1-3H3,(H,20,25)(H,21,24)/p+1