1-(1-adamantylcarbonylamino)-3-[3-(dimethylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(1-adamantylcarbonylamino)-3-[3-(dimethylsulfamoyl)phenyl]thiourea Openeye Name: 1-(adamantane-1-carbonylamino)-3-[3-(dimethylsulfamoyl)phenyl]thiourea CAS Name: 1-[[1-adamantyl(oxo)methyl]amino]-3-[3-(dimethylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(adamantane-1-carbonylamino)-3-[3-(dimethylsulfamoyl)phenyl]thiourea Traditional Name: 1-(adamantane-1-carbonylamino)-3-[3-(dimethylsulfamoyl)phenyl]thiourea Formula: C20H28N4O3S2 MolecularWeight: 436.59132

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H28N4O3S2/c1-24(2)29(26,27)17-5-3-4-16(9-17)21-19(28)23-22-18(25)20-10-13-6-14(11-20)8-15(7-13)12-20/h3-5,9,13-15H,6-8,10-12H2,1-2H3,(H,22,25)(H2,21,23,28)