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

Systemtic Name: 3-cyclopropyl-1-[(2,5-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-cyclopropyl-1-[(2,5-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-cyclopropyl-1-[(2,5-dimethoxyphenyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-cyclopropyl-1-[(2,5-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-cyclopropyl-1-(2,5-dimethoxybenzyl)-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(CCC[NH+]2CCOCC2)C(=S)NC3CC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(CCC[NH+]2CCOCC2)C(=S)NC3CC3

InChI

InChI=1S/C20H31N3O3S/c1-24-18-6-7-19(25-2)16(14-18)15-23(20(27)21-17-4-5-17)9-3-8-22-10-12-26-13-11-22/h6-7,14,17H,3-5,8-13,15H2,1-2H3,(H,21,27)/p+1