N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-2-methyl-indolizine-3-carbothioamide

Systemtic Name: N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-2-methyl-indolizine-3-carbothioamide Openeye Name: N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-2-methyl-indolizine-3-carbothioamide CAS Name: N-[bis(1-azepanyl)-tert-butylphosphoranylidene]-2-methyl-3-indolizinecarbothioamide IUPAC Name: N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-2-methylindolizine-3-carbothioamide Traditional Name: N-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-2-methyl-indolizine-3-carbothioamide Formula: C26H41N4PS MolecularWeight: 472.669301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1)C(=S)N=P(C(C)(C)C)(N3CCCCCC3)N4CCCCCC4

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1)C(=S)N=P(C(C)(C)C)(N3CCCCCC3)N4CCCCCC4

InChI

InChI=1S/C26H41N4PS/c1-22-21-23-15-9-14-20-30(23)24(22)25(32)27-31(26(2,3)4,28-16-10-5-6-11-17-28)29-18-12-7-8-13-19-29/h9,14-15,20-21H,5-8,10-13,16-19H2,1-4H3