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

Systemtic Name: 1-(3-chlorophenyl)-3-[2-[4-(4-methylsulfanylphenyl)piperazin-1-ium-1-yl]ethyl]urea Openeye Name: 1-(3-chlorophenyl)-3-[2-[4-(4-methylsulfanylphenyl)piperazin-1-ium-1-yl]ethyl]urea CAS Name: 1-(3-chlorophenyl)-3-[2-[4-[4-(methylthio)phenyl]-1-piperazin-1-iumyl]ethyl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[2-[4-(4-methylsulfanylphenyl)piperazin-1-ium-1-yl]ethyl]urea Traditional Name: 1-(3-chlorophenyl)-3-[2-[4-[4-(methylthio)phenyl]piperazin-1-ium-1-yl]ethyl]urea Formula: C20H26ClN4OS+ MolecularWeight: 405.96464

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC[NH+](CC2)CCNC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC[NH+](CC2)CCNC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H25ClN4OS/c1-27-19-7-5-18(6-8-19)25-13-11-24(12-14-25)10-9-22-20(26)23-17-4-2-3-16(21)15-17/h2-8,15H,9-14H2,1H3,(H2,22,23,26)/p+1