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

Systemtic Name: ethyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(1-adamantylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(1-adamantylsulfamoyl)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C30H33N3O4S3 MolecularWeight: 595.79572

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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)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O4S3/c1-2-37-28(34)25-15-26(22-6-4-3-5-7-22)39-27(25)32-29(38)31-23-8-10-24(11-9-23)40(35,36)33-30-16-19-12-20(17-30)14-21(13-19)18-30/h3-11,15,19-21,33H,2,12-14,16-18H2,1H3,(H2,31,32,38)