N-[(1-methylpyrrol-2-yl)-diphenyl-$l^{5}-phosphanylidene]-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: N-[(1-methylpyrrol-2-yl)-diphenyl-$l^{5}-phosphanylidene]-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-[(1-methylpyrrol-2-yl)-diphenyl-$l^{5}-phosphanylidene]-4-phenyl-piperazine-1-carbothioamide CAS Name: N-[(1-methyl-2-pyrrolyl)-diphenylphosphoranylidene]-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-[(1-methylpyrrol-2-yl)-diphenyl-$l^{5}-phosphanylidene]-4-phenylpiperazine-1-carbothioamide Traditional Name: N-[(1-methylpyrrol-2-yl)-diphenyl-phosphoranylidene]-4-phenyl-piperazine-1-carbothioamide Formula: C28H29N4PS MolecularWeight: 484.595421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1P(=NC(=S)N2CCN(CC2)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C=CC=C1P(=NC(=S)N2CCN(CC2)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N4PS/c1-30-19-11-18-27(30)33(25-14-7-3-8-15-25,26-16-9-4-10-17-26)29-28(34)32-22-20-31(21-23-32)24-12-5-2-6-13-24/h2-19H,20-23H2,1H3