1-[(3,4-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-thiourea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-thiourea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-thiourea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-3-phenylthiourea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenylthiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-1-veratryl-thiourea Formula: C23H32N3O3S+ MolecularWeight: 430.58348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCC[NH+]2CCOCC2)C(=S)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCC[NH+]2CCOCC2)C(=S)NC3=CC=CC=C3)OC

InChI

InChI=1S/C23H31N3O3S/c1-27-21-10-9-19(17-22(21)28-2)18-26(12-6-11-25-13-15-29-16-14-25)23(30)24-20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16,18H2,1-2H3,(H,24,30)/p+1