(phenylmethyl) N'-[(Z)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]carbamimidothioate

Systemtic Name: (phenylmethyl) N'-[(Z)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]carbamimidothioate Openeye Name: 2-benzyl-3-[(Z)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]isothiourea CAS Name: N'-[(Z)-(4-methylphenyl)sulfonylimino-phenylmethyl]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-[(Z)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]carbamimidothioate Traditional Name: 2-benzyl-3-[(Z)-C-phenyl-N-tosyl-carbonimidoyl]isothiourea Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)N=C(N)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/C2=CC=CC=C2)\N=C(N)SCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S2/c1-17-12-14-20(15-13-17)29(26,27)25-21(19-10-6-3-7-11-19)24-22(23)28-16-18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H2,23,24,25)