1-(2-methoxydibenzofuran-3-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-(2-methoxydibenzofuran-3-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(2-methoxydibenzofuran-3-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(2-methoxy-3-dibenzofuranyl)-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(2-methoxydibenzofuran-3-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(2-methoxydibenzofuran-3-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NCCC[NH+]4CCOCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C21H25N3O3S/c1-25-20-13-16-15-5-2-3-6-18(15)27-19(16)14-17(20)23-21(28)22-7-4-8-24-9-11-26-12-10-24/h2-3,5-6,13-14H,4,7-12H2,1H3,(H2,22,23,28)/p+1