1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C24H28N4O5S2 MolecularWeight: 516.63292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N4O5S2/c1-33-22-11-19(28(29)30)4-7-21(22)26-23(34)25-18-2-5-20(6-3-18)35(31,32)27-24-12-15-8-16(13-24)10-17(9-15)14-24/h2-7,11,15-17,27H,8-10,12-14H2,1H3,(H2,25,26,34)