methyl N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-N'-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-N'-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-methyl-3-(2-thienylsulfonyl)isothiourea CAS Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[5-(diethylsulfamoyl)-2-methylphenyl]-N'-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-methyl-3-(2-thienylsulfonyl)isothiourea Formula: C17H23N3O4S4 MolecularWeight: 461.64222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=NS(=O)(=O)C2=CC=CS2)SC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)N/C(=N/S(=O)(=O)C2=CC=CS2)/SC

InChI

InChI=1S/C17H23N3O4S4/c1-5-20(6-2)28(23,24)14-10-9-13(3)15(12-14)18-17(25-4)19-27(21,22)16-8-7-11-26-16/h7-12H,5-6H2,1-4H3,(H,18,19)