ethyl 4-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-(1-adamantylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(1-adamantylsulfamoyl)phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C26H31N3O4S2 MolecularWeight: 513.67204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H31N3O4S2/c1-2-33-24(30)20-3-5-21(6-4-20)27-25(34)28-22-7-9-23(10-8-22)35(31,32)29-26-14-17-11-18(15-26)13-19(12-17)16-26/h3-10,17-19,29H,2,11-16H2,1H3,(H2,27,28,34)