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

Systemtic Name: 3-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(3-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(3-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(=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CS3

InChI

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