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

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(2-bromophenyl)thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(2-bromophenyl)thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-(2-bromophenyl)thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(2-bromophenyl)thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(2-bromophenyl)thiourea Formula: C23H38BrN4PS MolecularWeight: 513.517381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NC1=CC=CC=C1Br)(N2CCCCCC2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)P(=NC(=S)NC1=CC=CC=C1Br)(N2CCCCCC2)N3CCCCCC3

InChI

InChI=1S/C23H38BrN4PS/c1-23(2,3)29(27-16-10-4-5-11-17-27,28-18-12-6-7-13-19-28)26-22(30)25-21-15-9-8-14-20(21)24/h8-9,14-15H,4-7,10-13,16-19H2,1-3H3,(H,25,30)