(E)-3-(3-nitrophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[[4-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[4-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[[4-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]acrylamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)COC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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