1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(2-furylmethyl)-3-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-(4-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(2-furfuryl)-3-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

InChI

InChI=1S/C20H27N3O3S/c1-24-18-7-5-17(6-8-18)21-20(27)23(16-19-4-2-13-26-19)10-3-9-22-11-14-25-15-12-22/h2,4-8,13H,3,9-12,14-16H2,1H3,(H,21,27)/p+1