1-(3-methylsulfanylphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea

Systemtic Name: 1-(3-methylsulfanylphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Openeye Name: 1-(3-methylsulfanylphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea CAS Name: 1-[3-(methylthio)phenyl]-3-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]urea IUPAC Name: 1-(3-methylsulfanylphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Traditional Name: 1-[3-(methylthio)phenyl]-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4OS/c1-26-19-9-5-6-17(16-19)22-20(25)21-10-11-23-12-14-24(15-13-23)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H2,21,22,25)/p+1