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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OC)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OC)C6=CC=CC=C6

InChI

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