1-[(3,4-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-1-(2-furylmethyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-1-(2-furanylmethyl)-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(2-furfuryl)-3-(3-morpholin-4-ium-4-ylpropyl)-1-veratryl-thiourea Formula: C22H32N3O4S+ MolecularWeight: 434.57218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=S)NCCC[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=S)NCCC[NH+]3CCOCC3)OC

InChI

InChI=1S/C22H31N3O4S/c1-26-20-7-6-18(15-21(20)27-2)16-25(17-19-5-3-12-29-19)22(30)23-8-4-9-24-10-13-28-14-11-24/h3,5-7,12,15H,4,8-11,13-14,16-17H2,1-2H3,(H,23,30)/p+1