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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-[(4-methoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-[(4-methoxyphenyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-[(4-methoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-p-anisyl-1-(2-thenyl)thiourea Formula: C21H30N3O2S2+ MolecularWeight: 420.6118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S2/c1-25-19-7-5-18(6-8-19)16-22-21(27)24(17-20-4-2-15-28-20)10-3-9-23-11-13-26-14-12-23/h2,4-8,15H,3,9-14,16-17H2,1H3,(H,22,27)/p+1