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

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(3,4,5-trimethoxyphenyl)carbonylamino]thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea Formula: C18H29N4O5S+ MolecularWeight: 413.51166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C18H28N4O5S/c1-24-14-11-13(12-15(25-2)16(14)26-3)17(23)20-21-18(28)19-5-4-6-22-7-9-27-10-8-22/h11-12H,4-10H2,1-3H3,(H,20,23)(H2,19,21,28)/p+1