1-[(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-[(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[[(4-bromo-2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]-3-(4-sulfamoylphenyl)thiourea Formula: C13H15BrN6O3S2 MolecularWeight: 447.3306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C

InChI

InChI=1S/C13H15BrN6O3S2/c1-7-10(14)11(20(2)19-7)12(21)17-18-13(24)16-8-3-5-9(6-4-8)25(15,22)23/h3-6H,1-2H3,(H,17,21)(H2,15,22,23)(H2,16,18,24)