1-(3-iodanyl-4-methyl-phenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-(3-iodanyl-4-methyl-phenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(3-iodo-4-methyl-phenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(3-iodo-4-methylphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(3-iodo-4-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(3-iodo-4-methyl-phenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C15H23IN3OS+ MolecularWeight: 420.33209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCC[NH+]2CCOCC2)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCC[NH+]2CCOCC2)I

InChI

InChI=1S/C15H22IN3OS/c1-12-3-4-13(11-14(12)16)18-15(21)17-5-2-6-19-7-9-20-10-8-19/h3-4,11H,2,5-10H2,1H3,(H2,17,18,21)/p+1