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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H23N3O5S3/c1-2-35-26(32)22-17-23(18-9-5-3-6-10-18)37-25(22)29-27(36)28-20-13-15-21(16-14-20)38(33,34)30-24(31)19-11-7-4-8-12-19/h3-17H,2H2,1H3,(H,30,31)(H2,28,29,36)