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

Systemtic Name: ethyl 5-phenyl-2-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[4-[(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(benzylsulfamoyl)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H25N3O4S3 MolecularWeight: 551.7001

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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)NCC4=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)NCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4S3/c1-2-34-26(31)23-17-24(20-11-7-4-8-12-20)36-25(23)30-27(35)29-21-13-15-22(16-14-21)37(32,33)28-18-19-9-5-3-6-10-19/h3-17,28H,2,18H2,1H3,(H2,29,30,35)