(E)-3-(3-nitrophenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[[2-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[2-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[[2-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]acrylamide Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)COC2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S/c25-20(11-10-15-5-3-6-16(13-15)24(26)27)23-21(30)22-18-8-1-2-9-19(18)29-14-17-7-4-12-28-17/h1-3,5-6,8-11,13,17H,4,7,12,14H2,(H2,22,23,25,30)/b11-10+