(E)-N-[(3-hexoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(3-hexoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(3-hexoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(3-hexoxyanilino)-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(3-hexoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(3-hexoxyphenyl)thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4S/c1-2-3-4-5-15-29-20-8-6-7-18(16-20)23-22(30)24-21(26)14-11-17-9-12-19(13-10-17)25(27)28/h6-14,16H,2-5,15H2,1H3,(H2,23,24,26,30)/b14-11+