1-(4-butylphenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[1-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-2-3-7-16-10-12-18(13-11-16)23-22(30)26-25-19(28)14-15-20-24-21(27-29-20)17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-15H2,1H3,(H,25,28)(H2,23,26,30)