1-(furan-2-ylmethyl)-3-(3-methylsulfanylphenyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-(3-methylsulfanylphenyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(2-furylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-[3-(methylthio)phenyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(3-methylsulfanylphenyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(2-furfuryl)-1-(1-isopropylpiperidin-1-ium-4-yl)-3-[3-(methylthio)phenyl]thiourea Formula: C21H30N3OS2+ MolecularWeight: 404.6124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N(CC2=CC=CO2)C(=S)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N(CC2=CC=CO2)C(=S)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H29N3OS2/c1-16(2)23-11-9-18(10-12-23)24(15-19-7-5-13-25-19)21(26)22-17-6-4-8-20(14-17)27-3/h4-8,13-14,16,18H,9-12,15H2,1-3H3,(H,22,26)/p+1