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

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(3-hydroxyphenyl)thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(3-hydroxyphenyl)thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-(3-hydroxyphenyl)thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(3-hydroxyphenyl)thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(3-hydroxyphenyl)thiourea Formula: C23H39N4OPS MolecularWeight: 450.620721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39N4OPS/c1-23(2,3)29(26-15-8-4-5-9-16-26,27-17-10-6-7-11-18-27)25-22(30)24-20-13-12-14-21(28)19-20/h12-14,19,28H,4-11,15-18H2,1-3H3,(H,24,30)