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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CO3

InChI

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