methyl 2-[[4-(phenylcarbonylsulfamoyl)phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(phenylcarbonylsulfamoyl)phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(benzoylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-5-benzylthiophene-3-carboxylate Traditional Name: 2-[[4-(benzoylsulfamoyl)phenyl]thiocarbamoylamino]-5-benzyl-thiophene-3-carboxylic acid methyl ester Formula: C27H23N3O5S3 MolecularWeight: 565.68362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O5S3/c1-35-26(32)23-17-21(16-18-8-4-2-5-9-18)37-25(23)29-27(36)28-20-12-14-22(15-13-20)38(33,34)30-24(31)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,30,31)(H2,28,29,36)