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

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(5-bromanylpyridin-2-yl)thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(5-bromo-2-pyridyl)thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-(5-bromo-2-pyridinyl)thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(5-bromopyridin-2-yl)thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(5-bromo-2-pyridyl)thiourea Formula: C22H37BrN5PS MolecularWeight: 514.505441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NC1=NC=C(C=C1)Br)(N2CCCCCC2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)P(=NC(=S)NC1=NC=C(C=C1)Br)(N2CCCCCC2)N3CCCCCC3

InChI

InChI=1S/C22H37BrN5PS/c1-22(2,3)29(27-14-8-4-5-9-15-27,28-16-10-6-7-11-17-28)26-21(30)25-20-13-12-19(23)18-24-20/h12-13,18H,4-11,14-17H2,1-3H3,(H,24,25,30)