1-(2-ethyl-6-methyl-phenyl)-3-[(4-pyrazol-1-ylphenyl)carbonylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(4-pyrazol-1-ylphenyl)carbonylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[oxo-[4-(1-pyrazolyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]thiourea Formula: C20H21N5OS MolecularWeight: 379.47864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c1-3-15-7-4-6-14(2)18(15)22-20(27)24-23-19(26)16-8-10-17(11-9-16)25-13-5-12-21-25/h4-13H,3H2,1-2H3,(H,23,26)(H2,22,24,27)