(E)-3-(5-phenylfuran-2-yl)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(5-phenylfuran-2-yl)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(5-phenyl-2-furyl)-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(5-phenyl-2-furanyl)-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(5-phenylfuran-2-yl)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(5-phenyl-2-furyl)-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]acrylamide Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(O2)C=CC(=O)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C(=O)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C26H21N3O2S/c30-25(13-11-23-10-12-24(31-23)21-4-2-1-3-5-21)29-26(32)28-22-8-6-19(7-9-22)18-20-14-16-27-17-15-20/h1-17H,18H2,(H2,28,29,30,32)/b13-11+