1-(4-butylphenyl)-3-[[4-(5-methylpyrazol-1-yl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[[4-(5-methylpyrazol-1-yl)phenyl]carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[[4-(5-methyl-1-pyrazolyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]thiourea Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

InChI

InChI=1S/C22H25N5OS/c1-3-4-5-17-6-10-19(11-7-17)24-22(29)26-25-21(28)18-8-12-20(13-9-18)27-16(2)14-15-23-27/h6-15H,3-5H2,1-2H3,(H,25,28)(H2,24,26,29)