1-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C13H21BrN5O2S+ MolecularWeight: 391.30714

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NNC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NNC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C13H20BrN5O2S/c14-10-8-11(16-9-10)12(20)17-18-13(22)15-2-1-3-19-4-6-21-7-5-19/h8-9,16H,1-7H2,(H,17,20)(H2,15,18,22)/p+1