1-(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(6-bromo-2-keto-1,3-dihydrobenzimidazol-5-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C15H21BrN5O2S+ MolecularWeight: 415.32854

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NC2=C(C=C3C(=C2)NC(=O)N3)Br

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NC2=C(C=C3C(=C2)NC(=O)N3)Br

InChI

InChI=1S/C15H20BrN5O2S/c16-10-8-12-13(19-14(22)18-12)9-11(10)20-15(24)17-2-1-3-21-4-6-23-7-5-21/h8-9H,1-7H2,(H2,17,20,24)(H2,18,19,22)/p+1