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

Systemtic Name: (E)-N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C18H16ClN3O6S MolecularWeight: 437.85414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O6S/c1-27-14-5-3-10(7-15(14)28-2)4-6-16(23)21-18(29)20-13-9-11(22(25)26)8-12(19)17(13)24/h3-9,24H,1-2H3,(H2,20,21,23,29)/b6-4+