(E)-3-(4-nitrophenyl)-N-(2-oxidanylpropylcarbamothioyl)prop-2-enamide

Systemtic Name: (E)-3-(4-nitrophenyl)-N-(2-oxidanylpropylcarbamothioyl)prop-2-enamide Openeye Name: (E)-N-(2-hydroxypropylcarbamothioyl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(2-hydroxypropylamino)-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(2-hydroxypropylcarbamothioyl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(2-hydroxypropylthiocarbamoyl)-3-(4-nitrophenyl)acrylamide Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=S)NC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CC(CNC(=S)NC(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C13H15N3O4S/c1-9(17)8-14-13(21)15-12(18)7-4-10-2-5-11(6-3-10)16(19)20/h2-7,9,17H,8H2,1H3,(H2,14,15,18,21)/b7-4+