1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(2-morpholin-4-ylphenyl)thiourea

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(2-morpholin-4-ylphenyl)thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(2-morpholinophenyl)thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-[2-(4-morpholinyl)phenyl]thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(2-morpholin-4-ylphenyl)thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(2-morpholinophenyl)thiourea Formula: C27H46N5OPS MolecularWeight: 519.725801

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NC1=CC=CC=C1N2CCOCC2)(N3CCCCCC3)N4CCCCCC4

Isomeric SMILES

CC(C)(C)P(=NC(=S)NC1=CC=CC=C1N2CCOCC2)(N3CCCCCC3)N4CCCCCC4

InChI

InChI=1S/C27H46N5OPS/c1-27(2,3)34(31-16-10-4-5-11-17-31,32-18-12-6-7-13-19-32)29-26(35)28-24-14-8-9-15-25(24)30-20-22-33-23-21-30/h8-9,14-15H,4-7,10-13,16-23H2,1-3H3,(H,28,35)