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

Systemtic Name: dimethyl 5-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C26H31N3O6S3 MolecularWeight: 577.73584

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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O6S3/c1-14-20(23(30)34-2)22(37-21(14)24(31)35-3)28-25(36)27-18-4-6-19(7-5-18)38(32,33)29-26-11-15-8-16(12-26)10-17(9-15)13-26/h4-7,15-17,29H,8-13H2,1-3H3,(H2,27,28,36)