(E)-3-phenyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-phenyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-phenyl-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-phenyl-N-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-phenyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-phenyl-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acrylamide Formula: C22H16N4O2S MolecularWeight: 400.45304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C22H16N4O2S/c27-20(9-6-15-4-2-1-3-5-15)26-22(29)24-17-7-8-19-18(14-17)25-21(28-19)16-10-12-23-13-11-16/h1-14H,(H2,24,26,27,29)/b9-6+