(E)-N-[(butanoylamino)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(butanoylamino)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(butanoylamino)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-3-(4-nitrophenyl)-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-[(butanoylamino)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(butyramidothiocarbamoyl)-3-(4-nitrophenyl)acrylamide Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O4S/c1-2-3-13(20)16-17-14(23)15-12(19)9-6-10-4-7-11(8-5-10)18(21)22/h4-9H,2-3H2,1H3,(H,16,20)(H2,15,17,19,23)/b9-6+