1-[2-(4-chlorophenyl)sulfanylethyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea Formula: C14H22ClN4S2+ MolecularWeight: 345.93428

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=S)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=S)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H21ClN4S2/c1-18-7-9-19(10-8-18)17-14(20)16-6-11-21-13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H2,16,17,20)/p+1