(E)-3-(3-nitrophenyl)-N-(propan-2-ylcarbamothioyl)prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-(propan-2-ylcarbamothioyl)prop-2-enamide Openeye Name: (E)-N-(isopropylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[(propan-2-ylamino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-(propan-2-ylcarbamothioyl)prop-2-enamide Traditional Name: (E)-N-(isopropylthiocarbamoyl)-3-(3-nitrophenyl)acrylamide Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S/c1-9(2)14-13(20)15-12(17)7-6-10-4-3-5-11(8-10)16(18)19/h3-9H,1-2H3,(H2,14,15,17,20)/b7-6+