(E)-3-(3-nitrophenyl)-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[[oxo-(2-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[[(2-propoxybenzoyl)amino]thiocarbamoyl]acrylamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-2-12-29-17-9-4-3-8-16(17)19(26)22-23-20(30)21-18(25)11-10-14-6-5-7-15(13-14)24(27)28/h3-11,13H,2,12H2,1H3,(H,22,26)(H2,21,23,25,30)/b11-10+