1-(furan-2-ylmethyl)-3-(3-methylsulfanylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-(3-methylsulfanylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-(2-furylmethyl)-3-(3-methylsulfanylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-[3-(methylthio)phenyl]-1-[2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(3-methylsulfanylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-(2-furfuryl)-3-[3-(methylthio)phenyl]-1-(2-piperidin-1-ium-1-ylethyl)thiourea Formula: C20H28N3OS2+ MolecularWeight: 390.58582

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)N(CC[NH+]2CCCCC2)CC3=CC=CO3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)N(CC[NH+]2CCCCC2)CC3=CC=CO3

InChI

InChI=1S/C20H27N3OS2/c1-26-19-9-5-7-17(15-19)21-20(25)23(16-18-8-6-14-24-18)13-12-22-10-3-2-4-11-22/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,21,25)/p+1