ethyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(1-adamantylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(1-adamantylsulfamoyl)phenyl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C31H35N3O4S3 MolecularWeight: 609.8223

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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)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H35N3O4S3/c1-3-38-29(35)27-26(23-7-5-4-6-8-23)19(2)40-28(27)33-30(39)32-24-9-11-25(12-10-24)41(36,37)34-31-16-20-13-21(17-31)15-22(14-20)18-31/h4-12,20-22,34H,3,13-18H2,1-2H3,(H2,32,33,39)