1-(2-ethyl-6-methyl-phenyl)-3-[[4-(5-methylpyrazol-1-yl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[4-(5-methylpyrazol-1-yl)phenyl]carbonylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[[4-(5-methyl-1-pyrazolyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]thiourea Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C)C

InChI

InChI=1S/C21H23N5OS/c1-4-16-7-5-6-14(2)19(16)23-21(28)25-24-20(27)17-8-10-18(11-9-17)26-15(3)12-13-22-26/h5-13H,4H2,1-3H3,(H,24,27)(H2,23,25,28)