(E)-3-naphthalen-1-yl-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-naphthalen-1-yl-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(1-naphthyl)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(1-naphthalenyl)-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-naphthalen-1-yl-N-[[(3-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(1-naphthyl)-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]acrylamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C=CC(=O)NC(=S)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2/C=C/C(=O)NC(=S)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c26-19(12-11-15-7-3-6-14-5-1-2-10-18(14)15)22-21(30)24-23-20(27)16-8-4-9-17(13-16)25(28)29/h1-13H,(H,23,27)(H2,22,24,26,30)/b12-11+