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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=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)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H35N3O4S3/c1-2-38-29(35)27-16-25(15-20-6-4-3-5-7-20)40-28(27)33-30(39)32-24-8-10-26(11-9-24)41(36,37)34-31-17-21-12-22(18-31)14-23(13-21)19-31/h3-11,16,21-23,34H,2,12-15,17-19H2,1H3,(H2,32,33,39)