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

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(pyridin-4-ylcarbonylamino)thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(pyridine-4-carbonylamino)thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-[[oxo(pyridin-4-yl)methyl]amino]thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(pyridine-4-carbonylamino)thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-isonicotinamido-thiourea Formula: C23H39N6OPS MolecularWeight: 478.634121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39N6OPS/c1-23(2,3)31(28-16-8-4-5-9-17-28,29-18-10-6-7-11-19-29)27-22(32)26-25-21(30)20-12-14-24-15-13-20/h12-15H,4-11,16-19H2,1-3H3,(H,25,30)(H,26,32)