1-[(2,5-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-3-(4-isopropylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-(2,5-dimethoxybenzyl)-1-(3-morpholin-4-ium-4-ylpropyl)-3-p-cumenyl-thiourea Formula: C26H38N3O3S+ MolecularWeight: 472.66322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C26H37N3O3S/c1-20(2)21-6-8-23(9-7-21)27-26(33)29(13-5-12-28-14-16-32-17-15-28)19-22-18-24(30-3)10-11-25(22)31-4/h6-11,18,20H,5,12-17,19H2,1-4H3,(H,27,33)/p+1