(E)-2-benzamido-1-morpholin-4-yl-3-sulfanylidene-3-triphenylphosphaniumyl-prop-1-en-1-olate

Systemtic Name: (E)-2-benzamido-1-morpholin-4-yl-3-sulfanylidene-3-triphenylphosphaniumyl-prop-1-en-1-olate Openeye Name: (E)-2-benzamido-1-morpholino-3-thioxo-3-triphenylphosphaniumyl-prop-1-en-1-olate CAS Name: (E)-2-benzamido-1-(4-morpholinyl)-3-sulfanylidene-3-triphenylphosphiniumyl-1-propen-1-olate IUPAC Name: (E)-2-benzamido-1-morpholin-4-yl-3-sulfanylidene-3-triphenylphosphaniumylprop-1-en-1-olate Traditional Name: (E)-2-benzamido-1-morpholino-3-thioxo-3-triphenylphosphiniumyl-prop-1-en-1-olate Formula: C32H29N2O3PS MolecularWeight: 552.623021

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=C(C(=S)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)[O-]

Isomeric SMILES

C1COCCN1/C(=C(/C(=S)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)\NC(=O)C5=CC=CC=C5)/[O-]

InChI

InChI=1S/C32H29N2O3PS/c35-30(25-13-5-1-6-14-25)33-29(31(36)34-21-23-37-24-22-34)32(39)38(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2,(H-,33,35,36,39)