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

Systemtic Name: (E)-3-(2,4-dichlorophenyl)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C16H11Cl2N3O4S MolecularWeight: 412.24724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Cl2N3O4S/c17-10-3-1-9(12(18)7-10)2-6-15(23)20-16(26)19-13-8-11(21(24)25)4-5-14(13)22/h1-8,22H,(H2,19,20,23,26)/b6-2+