N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-4-phenyl-piperazine-1-carbothioamide CAS Name: N-[bis(1-azepanyl)-tert-butylphosphoranylidene]-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-4-phenylpiperazine-1-carbothioamide Traditional Name: N-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-4-phenyl-piperazine-1-carbothioamide Formula: C27H46N5PS MolecularWeight: 503.726401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)N1CCN(CC1)C2=CC=CC=C2)(N3CCCCCC3)N4CCCCCC4

Isomeric SMILES

CC(C)(C)P(=NC(=S)N1CCN(CC1)C2=CC=CC=C2)(N3CCCCCC3)N4CCCCCC4

InChI

InChI=1S/C27H46N5PS/c1-27(2,3)33(31-17-11-4-5-12-18-31,32-19-13-6-7-14-20-32)28-26(34)30-23-21-29(22-24-30)25-15-9-8-10-16-25/h8-10,15-16H,4-7,11-14,17-24H2,1-3H3