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

Systemtic Name: 1-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(2-furylmethyl)-3-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-(3-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(2-furfuryl)-3-(3-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=CC(=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

Isomeric SMILES

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

InChI

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