(E)-3-(2,4-dichlorophenyl)-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-methoxy-4-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C17H13Cl2N3O4S MolecularWeight: 426.27382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H13Cl2N3O4S/c1-26-15-9-12(22(24)25)5-6-14(15)20-17(27)21-16(23)7-3-10-2-4-11(18)8-13(10)19/h2-9H,1H3,(H2,20,21,23,27)/b7-3+