1-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-pentyl-3-[[1-phenyl-3-(p-tolyl)pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-[[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[1-phenyl-3-(p-tolyl)pyrazole-4-carbonyl]amino]thiourea Formula: C23H27N5OS MolecularWeight: 421.55838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CN(N=C1C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CN(N=C1C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C23H27N5OS/c1-3-4-8-15-24-23(30)26-25-22(29)20-16-28(19-9-6-5-7-10-19)27-21(20)18-13-11-17(2)12-14-18/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,25,29)(H2,24,26,30)