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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

InChI

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