N-[2-(4-chlorophenyl)sulfanylethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C18H22ClN4S2+ MolecularWeight: 393.97708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN4S2/c19-15-4-6-16(7-5-15)25-14-9-21-18(24)23-12-10-22(11-13-23)17-3-1-2-8-20-17/h1-8H,9-14H2,(H,21,24)/p+1