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1-[4-(1-adamantylsulfamoyl)phenyl]-3-butyl-thiourea

1-[4-(1-adamantylsulfamoyl)phenyl]-3-butyl-thiourea

Systemtic Name:1-[4-(1-adamantylsulfamoyl)phenyl]-3-butyl-thiourea
Openeye Name:1-[4-(1-adamantylsulfamoyl)phenyl]-3-butyl-thiourea
CAS Name:1-[4-(1-adamantylsulfamoyl)phenyl]-3-butylthiourea
IUPAC Name:1-[4-(1-adamantylsulfamoyl)phenyl]-3-butylthiourea
Traditional Name:1-[4-(1-adamantylsulfamoyl)phenyl]-3-butyl-thiourea
Formula: C21H31N3O2S2
MolecularWeight: 421.61974
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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3


Isomeric SMILES

CCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3


InChI

InChI=1S/C21H31N3O2S2/c1-2-3-8-22-20(27)23-18-4-6-19(7-5-18)28(25,26)24-21-12-15-9-16(13-21)11-17(10-15)14-21/h4-7,15-17,24H,2-3,8-14H2,1H3,(H2,22,23,27)


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