1-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propyl]-3-(4-methylsulfanylphenyl)urea

Systemtic Name: 1-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propyl]-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-[3-(4-cyclohexyl-1-piperazin-4-iumyl)propyl]-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propyl]-3-[4-(methylthio)phenyl]urea Formula: C21H35N4OS+ MolecularWeight: 391.5938

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)NCCCN2CC[NH+](CC2)C3CCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)NCCCN2CC[NH+](CC2)C3CCCCC3

InChI

InChI=1S/C21H34N4OS/c1-27-20-10-8-18(9-11-20)23-21(26)22-12-5-13-24-14-16-25(17-15-24)19-6-3-2-4-7-19/h8-11,19H,2-7,12-17H2,1H3,(H2,22,23,26)/p+1