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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4S/c17-8-2-7-14-13(21)15-12(18)6-5-10-3-1-4-11(9-10)16(19)20/h1,3-6,9,17H,2,7-8H2,(H2,14,15,18,21)/b6-5+