(E)-N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C27H19N3O2S MolecularWeight: 449.52366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC5=CC=CC=C54

InChI

InChI=1S/C27H19N3O2S/c31-24(16-13-18-7-2-1-3-8-18)29-27(33)28-21-11-6-10-20(17-21)26-30-25-22-12-5-4-9-19(22)14-15-23(25)32-26/h1-17H,(H2,28,29,31,33)/b16-13+