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

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]thiourea Traditional Name: 1-benzyl-3-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]thiourea Formula: C24H41N4PS MolecularWeight: 448.647901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NCC1=CC=CC=C1)(N2CCCCCC2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)P(=NC(=S)NCC1=CC=CC=C1)(N2CCCCCC2)N3CCCCCC3

InChI

InChI=1S/C24H41N4PS/c1-24(2,3)29(27-17-11-4-5-12-18-27,28-19-13-6-7-14-20-28)26-23(30)25-21-22-15-9-8-10-16-22/h8-10,15-16H,4-7,11-14,17-21H2,1-3H3,(H,25,30)