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

Systemtic Name: (E)-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(2-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-3-(2-methoxyphenyl)acrylamide Formula: C18H15ClN4O5S MolecularWeight: 434.8535

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O5S/c1-28-15-5-3-2-4-11(15)7-9-16(24)20-18(29)22-21-17(25)12-6-8-13(19)14(10-12)23(26)27/h2-10H,1H3,(H,21,25)(H2,20,22,24,29)/b9-7+