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

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(3-methylpyridin-2-yl)thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(3-methyl-2-pyridyl)thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-(3-methyl-2-pyridinyl)thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(3-methylpyridin-2-yl)thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(3-methyl-2-pyridyl)thiourea Formula: C23H40N5PS MolecularWeight: 449.635961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=S)N=P(C(C)(C)C)(N2CCCCCC2)N3CCCCCC3

Isomeric SMILES

CC1=C(N=CC=C1)NC(=S)N=P(C(C)(C)C)(N2CCCCCC2)N3CCCCCC3

InChI

InChI=1S/C23H40N5PS/c1-20-14-13-15-24-21(20)25-22(30)26-29(23(2,3)4,27-16-9-5-6-10-17-27)28-18-11-7-8-12-19-28/h13-15H,5-12,16-19H2,1-4H3,(H,24,25,30)