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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[4-[(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(benzylsulfamoyl)phenyl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H27N3O4S3 MolecularWeight: 565.72668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4S3/c1-3-35-27(32)25-24(21-12-8-5-9-13-21)19(2)37-26(25)31-28(36)30-22-14-16-23(17-15-22)38(33,34)29-18-20-10-6-4-7-11-20/h4-17,29H,3,18H2,1-2H3,(H2,30,31,36)