1-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-[3-(methylthio)propyl]thiourea Formula: C17H28ClN4S2+ MolecularWeight: 388.01402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27ClN4S2/c1-3-21-8-10-22(11-9-21)16-6-5-14(18)13-15(16)20-17(23)19-7-4-12-24-2/h5-6,13H,3-4,7-12H2,1-2H3,(H2,19,20,23)/p+1