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

Systemtic Name: (E)-3-naphthalen-1-yl-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(1-naphthyl)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(1-naphthalenyl)-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-naphthalen-1-yl-N-[[(2-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(1-naphthyl)-N-[[(2-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(13-12-15-8-5-7-14-6-1-2-9-16(14)15)22-21(30)24-23-20(27)17-10-3-4-11-18(17)25(28)29/h1-13H,(H,23,27)(H2,22,24,26,30)/b13-12+