4-(1,3-benzothiazol-2-ylmethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(4-nitrophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Formula: C19H20N5O2S2+ MolecularWeight: 414.5244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O2S2/c25-24(26)15-7-5-14(6-8-15)20-19(27)23-11-9-22(10-12-23)13-18-21-16-3-1-2-4-17(16)28-18/h1-8H,9-13H2,(H,20,27)/p+1