(E)-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-3-naphthalen-1-yl-prop-2-enamide

Systemtic Name: (E)-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-3-naphthalen-1-yl-prop-2-enamide Openeye Name: (E)-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-3-(1-naphthyl)prop-2-enamide CAS Name: (E)-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(1-naphthalenyl)-2-propenamide IUPAC Name: (E)-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide Traditional Name: (E)-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-3-(1-naphthyl)acrylamide Formula: C21H15ClN4O4S MolecularWeight: 454.8862

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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(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN4O4S/c22-17-10-8-15(12-18(17)26(29)30)20(28)24-25-21(31)23-19(27)11-9-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H,(H,24,28)(H2,23,25,27,31)/b11-9+