N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(5-chloro-2-thienyl)methyl]-N-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C18H21ClN3O2S2+ MolecularWeight: 410.96124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20ClN3O2S2/c19-17-4-2-14(26-17)11-21-5-7-22(8-6-21)18(25)20-10-13-1-3-15-16(9-13)24-12-23-15/h1-4,9H,5-8,10-12H2,(H,20,25)/p+1