1-(furan-2-ylmethyl)-3-(4-phenoxyphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-(4-phenoxyphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-(2-furylmethyl)-3-(4-phenoxyphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-(4-phenoxyphenyl)-1-[2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(4-phenoxyphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-(2-furfuryl)-3-(4-phenoxyphenyl)-1-(2-piperidin-1-ium-1-ylethyl)thiourea Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c31-25(26-21-11-13-23(14-12-21)30-22-8-3-1-4-9-22)28(20-24-10-7-19-29-24)18-17-27-15-5-2-6-16-27/h1,3-4,7-14,19H,2,5-6,15-18,20H2,(H,26,31)/p+1