[3-(aminocarbonylamino)-1-benzamido-3-oxidanylidene-1-sulfanyl-prop-1-en-2-yl]-triphenyl-phosphanium

Systemtic Name: [3-(aminocarbonylamino)-1-benzamido-3-oxidanylidene-1-sulfanyl-prop-1-en-2-yl]-triphenyl-phosphanium Openeye Name: (1-allophanoyl-2-benzamido-2-sulfanyl-vinyl)-triphenyl-phosphonium CAS Name: [1-benzamido-3-(carbamoylamino)-1-mercapto-3-oxoprop-1-en-2-yl]-triphenylphosphonium IUPAC Name: [1-benzamido-3-(carbamoylamino)-3-oxo-1-sulfanylprop-1-en-2-yl]-triphenylphosphanium Traditional Name: (1-allophanoyl-2-benzamido-2-mercapto-vinyl)-triphenyl-phosphonium Formula: C29H25N3O3PS+ MolecularWeight: 526.565861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1