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

Systemtic Name: ethyl 2-[[4-(phenylcarbonylsulfamoyl)phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(benzoylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-5-benzylthiophene-3-carboxylate Traditional Name: 2-[[4-(benzoylsulfamoyl)phenyl]thiocarbamoylamino]-5-benzyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H25N3O5S3 MolecularWeight: 579.7102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C28H25N3O5S3/c1-2-36-27(33)24-18-22(17-19-9-5-3-6-10-19)38-26(24)30-28(37)29-21-13-15-23(16-14-21)39(34,35)31-25(32)20-11-7-4-8-12-20/h3-16,18H,2,17H2,1H3,(H,31,32)(H2,29,30,37)