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

Systemtic Name: (E)-3-(2-chlorophenyl)-N-[(3-hexoxyphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-chlorophenyl)-N-[(3-hexoxyphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-chlorophenyl)-N-[(3-hexoxyanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-chlorophenyl)-N-[(3-hexoxyphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-chlorophenyl)-N-[(3-hexoxyphenyl)thiocarbamoyl]acrylamide Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl

InChI

InChI=1S/C22H25ClN2O2S/c1-2-3-4-7-15-27-19-11-8-10-18(16-19)24-22(28)25-21(26)14-13-17-9-5-6-12-20(17)23/h5-6,8-14,16H,2-4,7,15H2,1H3,(H2,24,25,26,28)/b14-13+