diethyl 5-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(1-adamantylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(1-adamantylsulfamoyl)phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C28H35N3O6S3 MolecularWeight: 605.789

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H35N3O6S3/c1-4-36-25(32)22-16(3)23(26(33)37-5-2)39-24(22)30-27(38)29-20-6-8-21(9-7-20)40(34,35)31-28-13-17-10-18(14-28)12-19(11-17)15-28/h6-9,17-19,31H,4-5,10-15H2,1-3H3,(H2,29,30,38)