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

Systemtic Name: 1-(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(6-bromo-2-keto-1,3-dihydrobenzimidazol-5-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C14H19BrN5O2S+ MolecularWeight: 401.30196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN5O2S/c15-9-7-11-12(18-13(21)17-11)8-10(9)19-14(23)16-1-2-20-3-5-22-6-4-20/h7-8H,1-6H2,(H2,16,19,23)(H2,17,18,21)/p+1