N-(4-nitrophenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-nitrophenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-nitrophenyl)-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-nitrophenyl)-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-nitrophenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-nitrophenyl)-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C16H19N4O2S2+ MolecularWeight: 363.47766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O2S2/c21-20(22)15-3-1-14(2-4-15)17-16(23)19-8-6-18(7-9-19)11-13-5-10-24-12-13/h1-5,10,12H,6-9,11H2,(H,17,23)/p+1