1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(4-iodophenyl)urea

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(4-iodophenyl)urea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(4-iodophenyl)urea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-(4-iodophenyl)urea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(4-iodophenyl)urea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(4-iodophenyl)urea Formula: C23H38IN4OP MolecularWeight: 544.452251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=O)NC1=CC=C(C=C1)I)(N2CCCCCC2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)P(=NC(=O)NC1=CC=C(C=C1)I)(N2CCCCCC2)N3CCCCCC3

InChI

InChI=1S/C23H38IN4OP/c1-23(2,3)30(27-16-8-4-5-9-17-27,28-18-10-6-7-11-19-28)26-22(29)25-21-14-12-20(24)13-15-21/h12-15H,4-11,16-19H2,1-3H3,(H,25,29)