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

Systemtic Name: 1-pentyl-3-[(1-phenylpyrazol-4-yl)carbonylamino]thiourea Openeye Name: 1-pentyl-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea CAS Name: 1-[[oxo-(1-phenyl-4-pyrazolyl)methyl]amino]-3-pentylthiourea IUPAC Name: 1-pentyl-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea Traditional Name: 1-amyl-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea Formula: C16H21N5OS MolecularWeight: 331.43584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H21N5OS/c1-2-3-7-10-17-16(23)20-19-15(22)13-11-18-21(12-13)14-8-5-4-6-9-14/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,19,22)(H2,17,20,23)