1-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-fluorobenzyl)thiourea Formula: C13H12BrFN4OS MolecularWeight: 371.227983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NNC(=O)C2=CC(=CN2)Br)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NNC(=O)C2=CC(=CN2)Br)F

InChI

InChI=1S/C13H12BrFN4OS/c14-9-5-11(16-7-9)12(20)18-19-13(21)17-6-8-1-3-10(15)4-2-8/h1-5,7,16H,6H2,(H,18,20)(H2,17,19,21)