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

Systemtic Name: 3-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(2-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(2-thenyl)thiourea Formula: C20H28N3O2S2+ MolecularWeight: 406.58522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CS3

InChI

InChI=1S/C20H27N3O2S2/c1-24-19-8-3-2-7-18(19)21-20(26)23(16-17-6-4-15-27-17)10-5-9-22-11-13-25-14-12-22/h2-4,6-8,15H,5,9-14,16H2,1H3,(H,21,26)/p+1