1-tert-butyl-3-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]-3-tert-butyl-thiourea CAS Name: 1-tert-butyl-3-[[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]amino]thiourea IUPAC Name: 1-[(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]-3-tert-butylthiourea Traditional Name: 1-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]-3-tert-butyl-thiourea Formula: C20H23N5OS2 MolecularWeight: 413.55952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

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