2-[methyl-[(E)-N'-(triphenylmethyl)sulfanylcarbamimidoyl]amino]-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]ethanamide

Systemtic Name: 2-[methyl-[(E)-N'-(triphenylmethyl)sulfanylcarbamimidoyl]amino]-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]ethanamide Openeye Name: 2-[methyl-[(E)-N'-tritylsulfanylcarbamimidoyl]amino]-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide CAS Name: 2-[[(E)-amino-[(triphenylmethyl)thio]iminomethyl]-methylamino]-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide IUPAC Name: 2-[methyl-[(E)-N'-tritylsulfanylcarbamimidoyl]amino]-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide Traditional Name: 2-[methyl-[(E)-N'-(tritylthio)amidino]amino]-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide Formula: C35H34N6O5S3 MolecularWeight: 714.87666

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N)C(=NSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N)/C(=N/SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/N

InChI

InChI=1S/C35H34N6O5S3/c1-41(25-33(42)38-29-20-22-31(23-21-29)49(45,46)40-30-18-11-19-32(24-30)48(37,43)44)34(36)39-47-35(26-12-5-2-6-13-26,27-14-7-3-8-15-27)28-16-9-4-10-17-28/h2-24,40H,25H2,1H3,(H2,36,39)(H,38,42)(H2,37,43,44)