1-pentyl-3-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]thiourea

Systemtic Name: 1-pentyl-3-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]thiourea Openeye Name: 1-pentyl-3-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-[[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]-3-pentylthiourea IUPAC Name: 1-pentyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]thiourea Traditional Name: 1-amyl-3-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]thiourea Formula: C20H23N5OS2 MolecularWeight: 413.55952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N5OS2/c1-2-3-7-12-21-20(27)23-22-19(26)16-14-25(15-9-5-4-6-10-15)24-18(16)17-11-8-13-28-17/h4-6,8-11,13-14H,2-3,7,12H2,1H3,(H,22,26)(H2,21,23,27)