1-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-[3-(methylthio)propyl]thiourea Formula: C18H31N4S2+ MolecularWeight: 367.59554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4S2/c1-4-21-9-11-22(12-10-21)16-6-7-17(15(2)14-16)20-18(23)19-8-5-13-24-3/h6-7,14H,4-5,8-13H2,1-3H3,(H2,19,20,23)/p+1