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

Systemtic Name: N-(2-methoxyethyl)-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxyethyl)-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxyethyl)-2-[4-[(4-nitroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxyethyl)-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxyethyl)-2-[4-[(4-nitrophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C16H24N5O4S+ MolecularWeight: 382.45786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O4S/c1-25-11-6-17-15(22)12-19-7-9-20(10-8-19)16(26)18-13-2-4-14(5-3-13)21(23)24/h2-5H,6-12H2,1H3,(H,17,22)(H,18,26)/p+1