(E)-1-(aminocarbonylamino)-3-benzamido-3-sulfanylidene-2-triphenylphosphaniumyl-prop-1-en-1-olate

Systemtic Name: (E)-1-(aminocarbonylamino)-3-benzamido-3-sulfanylidene-2-triphenylphosphaniumyl-prop-1-en-1-olate Openeye Name: (E)-3-benzamido-3-thioxo-2-triphenylphosphaniumyl-1-ureido-prop-1-en-1-olate CAS Name: (E)-3-benzamido-1-(carbamoylamino)-3-sulfanylidene-2-triphenylphosphiniumyl-1-propen-1-olate IUPAC Name: (E)-3-benzamido-1-(carbamoylamino)-3-sulfanylidene-2-triphenylphosphaniumylprop-1-en-1-olate Traditional Name: (E)-3-benzamido-3-thioxo-2-triphenylphosphiniumyl-1-ureido-prop-1-en-1-olate Formula: C29H24N3O3PS MolecularWeight: 525.557921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)C(=C(NC(=O)N)[O-])[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)/C(=C(/NC(=O)N)\[O-])/[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H24N3O3PS/c30-29(35)32-27(34)25(28(37)31-26(33)21-13-5-1-6-14-21)36(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H,(H4-,30,31,32,33,34,35,37)