methyl 2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-(diethylsulfamoyl)-2-methylanilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(diethylsulfamoyl)-2-methylphenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H29N3O4S3 MolecularWeight: 495.67836

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C22H29N3O4S3/c1-5-25(6-2)32(27,28)15-12-11-14(3)17(13-15)23-22(30)24-20-19(21(26)29-4)16-9-7-8-10-18(16)31-20/h11-13H,5-10H2,1-4H3,(H2,23,24,30)