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

Systemtic Name: methyl 2-[[4-(phenylcarbonylsulfamoyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(benzoylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(benzoylsulfamoyl)phenyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H23N3O5S3 MolecularWeight: 529.65152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3O5S3/c1-32-23(29)20-18-9-5-6-10-19(18)34-22(20)26-24(33)25-16-11-13-17(14-12-16)35(30,31)27-21(28)15-7-3-2-4-8-15/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,27,28)(H2,25,26,33)