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

Systemtic Name: 1-(4-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-(4-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-(4-methoxyphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-(4-methoxyphenyl)-3-(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=C(C=C1)N(CC2=CC=CS2)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=S)NCCC[NH+]3CCOCC3

InChI

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