1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]-3-(4-sulfamoylphenyl)thiourea Formula: C25H25N5O3S2 MolecularWeight: 507.6277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C25H25N5O3S2/c1-17-24(28-25(34)27-20-11-13-23(14-12-20)35(26,31)32)18(2)30(29-17)16-19-7-6-10-22(15-19)33-21-8-4-3-5-9-21/h3-15H,16H2,1-2H3,(H2,26,31,32)(H2,27,28,34)