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

Systemtic Name: ethyl 2-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C29H29N3O4S3 MolecularWeight: 579.75326

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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)NCCC4=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)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O4S3/c1-2-36-28(33)26-20-24(19-22-11-7-4-8-12-22)38-27(26)32-29(37)31-23-13-15-25(16-14-23)39(34,35)30-18-17-21-9-5-3-6-10-21/h3-16,20,30H,2,17-19H2,1H3,(H2,31,32,37)