1-(4-fluorophenyl)-3-[(E)-C-phenyl-N-(phenylsulfonylmethyl)carbonimidoyl]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-[(E)-C-phenyl-N-(phenylsulfonylmethyl)carbonimidoyl]thiourea Openeye Name: 1-[(E)-N-(benzenesulfonylmethyl)-C-phenyl-carbonimidoyl]-3-(4-fluorophenyl)thiourea CAS Name: 1-[(E)-benzenesulfonylmethylimino(phenyl)methyl]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[(E)-N-(benzenesulfonylmethyl)-C-phenylcarbonimidoyl]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[(E)-N-(besylmethyl)-C-phenyl-carbonimidoyl]-3-(4-fluorophenyl)thiourea Formula: C21H18FN3O2S2 MolecularWeight: 427.514923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NCS(=O)(=O)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)/C(=N\CS(=O)(=O)C2=CC=CC=C2)/NC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FN3O2S2/c22-17-11-13-18(14-12-17)24-21(28)25-20(16-7-3-1-4-8-16)23-15-29(26,27)19-9-5-2-6-10-19/h1-14H,15H2,(H2,23,24,25,28)