(E)-3-(3-nitrophenyl)-N-[(3-phenethyloxyphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[(3-phenethyloxyphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[(3-phenethyloxyphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[(3-phenethyloxyanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[(3-phenethyloxyphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[(3-phenethyloxyphenyl)thiocarbamoyl]acrylamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O4S/c28-23(13-12-19-8-4-10-21(16-19)27(29)30)26-24(32)25-20-9-5-11-22(17-20)31-15-14-18-6-2-1-3-7-18/h1-13,16-17H,14-15H2,(H2,25,26,28,32)/b13-12+