(E)-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(2-methyl-3-nitrophenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5S/c1-11-14(3-2-4-15(11)21(25)26)18-17(27)19-16(22)10-7-12-5-8-13(9-6-12)20(23)24/h2-10H,1H3,(H2,18,19,22,27)/b10-7+