1-(3-ethylpent-1-yn-3-yl)-3-[4-(1-phenylethylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(3-ethylpent-1-yn-3-yl)-3-[4-(1-phenylethylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1,1-diethylprop-2-ynyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]thiourea CAS Name: 1-(3-ethylpent-1-yn-3-yl)-3-[4-(1-phenylethylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(3-ethylpent-1-yn-3-yl)-3-[4-(1-phenylethylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1,1-diethylprop-2-ynyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]thiourea Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCC(CC)(C#C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O2S2/c1-5-22(6-2,7-3)24-21(28)23-19-13-15-20(16-14-19)29(26,27)25-17(4)18-11-9-8-10-12-18/h1,8-17,25H,6-7H2,2-4H3,(H2,23,24,28)