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

Systemtic Name: 1-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C12H19BrN5O2S+ MolecularWeight: 377.28056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BrN5O2S/c13-9-7-10(15-8-9)11(19)16-17-12(21)14-1-2-18-3-5-20-6-4-18/h7-8,15H,1-6H2,(H,16,19)(H2,14,17,21)/p+1