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

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(2-cyanoethylamino)thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(2-cyanoethylamino)thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-(2-cyanoethylamino)thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(2-cyanoethylamino)thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(2-cyanoethylamino)thiourea Formula: C20H39N6PS MolecularWeight: 426.602621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NNCCC#N)(N1CCCCCC1)N2CCCCCC2

Isomeric SMILES

CC(C)(C)P(=NC(=S)NNCCC#N)(N1CCCCCC1)N2CCCCCC2

InChI

InChI=1S/C20H39N6PS/c1-20(2,3)27(25-15-8-4-5-9-16-25,26-17-10-6-7-11-18-26)24-19(28)23-22-14-12-13-21/h22H,4-12,14-18H2,1-3H3,(H,23,28)