(E)-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H21N3OS/c23-16-22(14-4-5-15-22)18-9-11-19(12-10-18)24-21(27)25-20(26)13-8-17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-15H2,(H2,24,25,26,27)/b13-8+