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

Systemtic Name: (E)-N-[[(2-methoxyphenyl)carbonylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[(2-methoxybenzoyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[(2-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[(2-methoxybenzoyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[(o-anisoylamino)thiocarbamoyl]acrylamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O5S/c1-27-15-8-3-2-7-14(15)17(24)20-21-18(28)19-16(23)10-9-12-5-4-6-13(11-12)22(25)26/h2-11H,1H3,(H,20,24)(H2,19,21,23,28)/b10-9+