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

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H17N3O5S/c1-2-26-14-7-3-12(4-8-14)5-10-17(23)20-18(27)19-15-9-6-13(21(24)25)11-16(15)22/h3-11,22H,2H2,1H3,(H2,19,20,23,27)/b10-5+