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

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

Click to see the large picture

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)21-9-11-23(12-10-21)27-26(33)29(14-6-13-28-15-17-32-18-16-28)19-22-7-5-8-24(30-3)25(22)31-4/h5,7-12,20H,6,13-19H2,1-4H3,(H,27,33)/p+1