1-(4-butylphenyl)-3-[(1-phenylpyrazol-4-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(1-phenylpyrazol-4-yl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[oxo-(1-phenyl-4-pyrazolyl)methyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea Formula: C21H23N5OS MolecularWeight: 393.50522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5OS/c1-2-3-7-16-10-12-18(13-11-16)23-21(28)25-24-20(27)17-14-22-26(15-17)19-8-5-4-6-9-19/h4-6,8-15H,2-3,7H2,1H3,(H,24,27)(H2,23,25,28)