(phenylmethyl) N'-[(Z)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]carbamimidothioate

Systemtic Name: (phenylmethyl) N'-[(Z)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]carbamimidothioate Openeye Name: 3-[(Z)-N-(benzenesulfonyl)-C-phenyl-carbonimidoyl]-2-benzyl-isothiourea CAS Name: N'-[(Z)-benzenesulfonylimino(phenyl)methyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-[(Z)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]carbamimidothioate Traditional Name: 2-benzyl-3-[(Z)-N-besyl-C-phenyl-carbonimidoyl]isothiourea Formula: C21H19N3O2S2 MolecularWeight: 409.52446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=NC(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CSC(=N/C(=N\S(=O)(=O)C2=CC=CC=C2)/C3=CC=CC=C3)N

InChI

InChI=1S/C21H19N3O2S2/c22-21(27-16-17-10-4-1-5-11-17)23-20(18-12-6-2-7-13-18)24-28(25,26)19-14-8-3-9-15-19/h1-15H,16H2,(H2,22,23,24)