N-tert-butyl-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-nitroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(4-nitrophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H26N5O3S+ MolecularWeight: 380.48504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O3S/c1-17(2,3)19-15(23)12-20-8-10-21(11-9-20)16(26)18-13-4-6-14(7-5-13)22(24)25/h4-7H,8-12H2,1-3H3,(H,18,26)(H,19,23)/p+1