N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-2,5-dimethyl-1-phenyl-pyrrole-3-carbothioamide

Systemtic Name: N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-2,5-dimethyl-1-phenyl-pyrrole-3-carbothioamide Openeye Name: N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-2,5-dimethyl-1-phenyl-pyrrole-3-carbothioamide CAS Name: N-[bis(1-azepanyl)-tert-butylphosphoranylidene]-2,5-dimethyl-1-phenyl-3-pyrrolecarbothioamide IUPAC Name: N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-2,5-dimethyl-1-phenylpyrrole-3-carbothioamide Traditional Name: N-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-2,5-dimethyl-1-phenyl-pyrrole-3-carbothioamide Formula: C29H45N4PS MolecularWeight: 512.733161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=S)N=P(C(C)(C)C)(N3CCCCCC3)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=S)N=P(C(C)(C)C)(N3CCCCCC3)N4CCCCCC4

InChI

InChI=1S/C29H45N4PS/c1-24-23-27(25(2)33(24)26-17-11-10-12-18-26)28(35)30-34(29(3,4)5,31-19-13-6-7-14-20-31)32-21-15-8-9-16-22-32/h10-12,17-18,23H,6-9,13-16,19-22H2,1-5H3