(E)-N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C17H14ClN3O5S MolecularWeight: 407.82816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O5S/c1-26-12-5-2-10(3-6-12)4-7-15(22)20-17(27)19-14-9-11(21(24)25)8-13(18)16(14)23/h2-9,23H,1H3,(H2,19,20,22,27)/b7-4+