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

Systemtic Name: methyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(1-adamantylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-(1-adamantylsulfamoyl)phenyl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C25H31N3O4S3 MolecularWeight: 533.72634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C25H31N3O4S3/c1-3-19-11-21(23(29)32-2)22(34-19)27-24(33)26-18-4-6-20(7-5-18)35(30,31)28-25-12-15-8-16(13-25)10-17(9-15)14-25/h4-7,11,15-17,28H,3,8-10,12-14H2,1-2H3,(H2,26,27,33)