1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-pyridin-2-yl-thiourea

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-pyridin-2-yl-thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(2-pyridyl)thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-(2-pyridinyl)thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-pyridin-2-ylthiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(2-pyridyl)thiourea Formula: C22H38N5PS MolecularWeight: 435.609381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NC1=CC=CC=N1)(N2CCCCCC2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)P(=NC(=S)NC1=CC=CC=N1)(N2CCCCCC2)N3CCCCCC3

InChI

InChI=1S/C22H38N5PS/c1-22(2,3)28(26-16-10-4-5-11-17-26,27-18-12-6-7-13-19-27)25-21(29)24-20-14-8-9-15-23-20/h8-9,14-15H,4-7,10-13,16-19H2,1-3H3,(H,23,24,29)