1-(3-ethylpent-1-yn-3-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(3-ethylpent-1-yn-3-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1,1-diethylprop-2-ynyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(3-ethylpent-1-yn-3-yl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(3-ethylpent-1-yn-3-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1,1-diethylprop-2-ynyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H21N5O2S2 MolecularWeight: 403.52164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2

Isomeric SMILES

CCC(CC)(C#C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2

InChI

InChI=1S/C18H21N5O2S2/c1-4-18(5-2,6-3)22-17(26)21-14-8-10-15(11-9-14)27(24,25)23-16-19-12-7-13-20-16/h1,7-13H,5-6H2,2-3H3,(H,19,20,23)(H2,21,22,26)