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

Systemtic Name: (E)-N-[(hexanoylamino)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(hexanoylamino)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-[(hexanoylamino)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(caproylamino)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4S/c1-2-3-4-8-15(22)18-19-16(25)17-14(21)10-9-12-6-5-7-13(11-12)20(23)24/h5-7,9-11H,2-4,8H2,1H3,(H,18,22)(H2,17,19,21,25)/b10-9+