methyl 2-[[(E)-N-[(4-methylphenyl)sulfonylmethyl]-C-phenyl-carbonimidoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 2-[[(E)-N-[(4-methylphenyl)sulfonylmethyl]-C-phenyl-carbonimidoyl]carbamothioylamino]benzoate Openeye Name: methyl 2-[[(E)-C-phenyl-N-(p-tolylsulfonylmethyl)carbonimidoyl]carbamothioylamino]benzoate CAS Name: 2-[[[[(E)-(4-methylphenyl)sulfonylmethylimino-phenylmethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-N-[(4-methylphenyl)sulfonylmethyl]-C-phenylcarbonimidoyl]carbamothioylamino]benzoate Traditional Name: 2-[[(E)-C-phenyl-N-(tosylmethyl)carbonimidoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C24H23N3O4S2 MolecularWeight: 481.58712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CN=C(C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C/N=C(\C2=CC=CC=C2)/NC(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H23N3O4S2/c1-17-12-14-19(15-13-17)33(29,30)16-25-22(18-8-4-3-5-9-18)27-24(32)26-21-11-7-6-10-20(21)23(28)31-2/h3-15H,16H2,1-2H3,(H2,25,26,27,32)