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

Systemtic Name: 1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(2-furylmethyl)-1-(3-morpholin-4-ium-4-ylpropyl)-3-(o-tolyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-(2-methylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(2-furfuryl)-1-(3-morpholin-4-ium-4-ylpropyl)-3-(o-tolyl)thiourea Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

InChI

InChI=1S/C20H27N3O2S/c1-17-6-2-3-8-19(17)21-20(26)23(16-18-7-4-13-25-18)10-5-9-22-11-14-24-15-12-22/h2-4,6-8,13H,5,9-12,14-16H2,1H3,(H,21,26)/p+1