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

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(2,4,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(2,4,5-trimethoxyphenyl)methyl]thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[(2,4,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(2,4,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(2,4,5-trimethoxybenzyl)thiourea Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=S)NCCC[NH+]2CCOCC2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=S)NCCC[NH+]2CCOCC2)OC)OC

InChI

InChI=1S/C18H29N3O4S/c1-22-15-12-17(24-3)16(23-2)11-14(15)13-20-18(26)19-5-4-6-21-7-9-25-10-8-21/h11-12H,4-10,13H2,1-3H3,(H2,19,20,26)/p+1