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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-24-18-7-4-16(14-19(18)25-2)15-23(20(27)21-17-5-6-17)9-3-8-22-10-12-26-13-11-22/h4,7,14,17H,3,5-6,8-13,15H2,1-2H3,(H,21,27)/p+1