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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

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