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

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(2-furylmethyl)thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(2-furfuryl)thiourea Formula: C22H39N4OPS MolecularWeight: 438.610021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NCC1=CC=CO1)(N2CCCCCC2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)P(=NC(=S)NCC1=CC=CO1)(N2CCCCCC2)N3CCCCCC3

InChI

InChI=1S/C22H39N4OPS/c1-22(2,3)28(25-14-8-4-5-9-15-25,26-16-10-6-7-11-17-26)24-21(29)23-19-20-13-12-18-27-20/h12-13,18H,4-11,14-17,19H2,1-3H3,(H,23,29)