N-(2-phenylsulfanylethyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2-phenylsulfanylethyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide Openeye Name: N-(2-phenylsulfanylethyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide CAS Name: N-[2-(phenylthio)ethyl]-4-(4-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-phenylsulfanylethyl)-4-pyridin-1-ium-4-ylpiperazine-1-carbothioamide Traditional Name: N-[2-(phenylthio)ethyl]-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide Formula: C18H23N4S2+ MolecularWeight: 359.53202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C18H22N4S2/c23-18(20-10-15-24-17-4-2-1-3-5-17)22-13-11-21(12-14-22)16-6-8-19-9-7-16/h1-9H,10-15H2,(H,20,23)/p+1